ITCMDBv1
IngredientID 8116

7'-(4'-hydroxy,3'-methoxyphenyl)-n-[(4-butyl-phenyl)ethyl]propenamide

C22H27NO3

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Herb: 1Ingredient: 1Links: 1
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
8116
Core Entity Id
12194
Source Entity Count
1
Preferred Name
7'-(4'-hydroxy,3'-methoxyphenyl)-n-[(4-butyl-phenyl)ethyl]propenamide
Name En
Pubchem Id
10383449
Smiles Canonical
CCCCC1=CC=C(C=C1)CCNC(=O)C=CC2=CC(=C(C=C2)O)OC
Molecular Formula
C22H27NO3
Molecular Weight
353.4620
Inchikey
QHMUIOCUPBCVFT-ACCUITESSA-N
Inchi
InChI=1S/C22H27NO3/c1-3-4-5-17-6-8-18(9-7-17)14-15-23-22(25)13-11-19-10-12-20(24)21(16-19)26-2/h6-13,16,24H,3-5,14-15H2,1-2H3,(H,23,25)/b13-11+
Isomeric Smiles
CCCCC1=CC=C(C=C1)CCNC(=O)/C=C/C2=CC(=C(C=C2)O)OC
Cas Id
Ob Score
Mol Logp
4.1155
Num H Donors
2
Num H Acceptors
3
Num Rotatable Bonds
9
Drug Likeness
0.6670
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
7'-(4'-Hydroxy,3'-methoxyphenyl)-N-[(4-butylphenyl)ethyl]propenamide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7'-(4'-hydroxy,3'-methoxyphenyl)-n-[(4-butyl-phenyl)ethyl]propenamide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7'-(4'-hydroxy,3'-methoxyphenyl)-n-[(4-butyl-phenyl)ethyl]propenamide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7'-(4'-hydroxy,3'-methoxyphenyl)-n-[(4-butyl-phenyl)ethyl]propenamide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2E)-N-[2-(4-butylphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E)-N-[2-(4-butylphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-N-[2-(4-butylphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-N-[2-(4-butylphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Role
alias
Source
HERB_v2
Preferred
No
Name
7'-(4'-hydroxy,3'-methoxyphenyl)-N-[(4-butylphenyl)ethyl]propenamide
Role
alias
Source
HERB_v2
Preferred
No
Name
7'-(4'-hydroxy,3'-methoxyphenyl)-N-[(4-butylphenyl)ethyl]propenamide
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:65701
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:65701
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cuscuta propenamide 2
Role
alias
Source
HERB_v2
Preferred
No
Name
Cuscuta propenamide 2
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27134184
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27134184
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

7'-(4'-Hydroxy,3'-methoxyphenyl)-N-[(4-butylphenyl)ethyl]propenamide(2E)-N-[2-(4-butylphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide(E)-N-[2-(4-butylphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamideCHEBI:65701Cuscuta propenamide 2Q27134184

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN012940
Npass
NPC286259
Tcmid
10434
Pub Chem
10383449
Tcmbank
TCMBANKIN003597
Etcm Ingredient
7'-(4'-Hydroxy,3'-methoxyphenyl)-N-[(4-butylphenyl)ethyl]propenamide
Itcmdb Generated
ITX-INGREDIENT-1A7A686CA38D

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C22H27NO3/c1-3-4-5-17-6-8-18(9-7-17)14-15-23-22(25)13-11-19-10-12-20(24)21(16-19)26-2/h6-13,16,24H,3-5,14-15H2,1-2H3,(H,23,25)/b13-11+
Mol Wt
353.462
Smiles
CCCCC1=CC=C(C=C1)CCNC(=O)C=CC2=CC(=C(C=C2)O)OC
Mol Log P
4.115500000000003
In Ch Ikey
QHMUIOCUPBCVFT-ACCUITESSA-N
Num Hdonors
2
Drug Likeness
0.667
Num Hacceptors
3
Isomeric Smiles
CCCCC1=CC=C(C=C1)CCNC(=O)/C=C/C2=CC(=C(C=C2)O)OC
Canonical Smiles
CCCCC1=CC=C(C=C1)CCNC(=O)C=CC2=CC(=C(C=C2)O)OC
Herb Alias Names
Cuscuta propenamide 27'-(4'-hydroxy,3'-methoxyphenyl)-N-[(4-butylphenyl)ethyl]propenamide(2E)-N-[2-(4-butylphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamideCuscuta propenamide 2CHEBI:65701Q27134184(E)-N-[2-(4-butylphenyl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
Molecular Weight
353.200
Molecular Weight
353.5 g/mol
Molecular Formula
C22H27NO3
Molecular Formula
C22H27NO3
Molecular Formula
C22H27NO3
Num Rotatable Bonds
9
Fda Maximum Daily Dose (Fdamdd)
0.864
Quantitative Estimate Of Drug Likeness（Qed）
0.667