(E)-2-benzoyl-3-(3-hydroxy-4-methoxyphenyl)-N-(3-methoxyphenyl)prop-2-enamide

C24H21NO5 — CID 9448911

IUPAC(E)-2-benzoyl-3-(3-hydroxy-4-methoxyphenyl)-N-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(NC(=O)/C(=C/c2ccc(OC)c(O)c2)C(=O)c2ccccc2)c1
InChIInChI=1S/C24H21NO5/c1-29-19-10-6-9-18(15-19)25-24(28)20(23(27)17-7-4-3-5-8-17)13-16-11-12-22(30-2)21(26)14-16/h3-15,26H,1-2H3,(H,25,28)/b20-13+
InChIKeyBFFDIAXYUJXPQB-DEDYPNTBSA-N
MW403.43 g/mol
LogP4.31
Rot. Bonds7

About (E)-2-benzoyl-3-(3-hydroxy-4-methoxyphenyl)-N-(3-methoxyphenyl)prop-2-enamide

(E)-2-benzoyl-3-(3-hydroxy-4-methoxyphenyl)-N-(3-methoxyphenyl)prop-2-enamide (PubChem CID 9448911) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is (E)-2-benzoyl-3-(3-hydroxy-4-methoxyphenyl)-N-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-benzoyl-3-(3-hydroxy-4-methoxyphenyl)-N-(3-methoxyphenyl)prop-2-enamide
PubChem CID9448911
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Name(E)-2-benzoyl-3-(3-hydroxy-4-methoxyphenyl)-N-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(NC(=O)/C(=C/c2ccc(OC)c(O)c2)C(=O)c2ccccc2)c1
InChIInChI=1S/C24H21NO5/c1-29-19-10-6-9-18(15-19)25-24(28)20(23(27)17-7-4-3-5-8-17)13-16-11-12-22(30-2)21(26)14-16/h3-15,26H,1-2H3,(H,25,28)/b20-13+
InChIKeyBFFDIAXYUJXPQB-DEDYPNTBSA-N
XLogP4.31
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

3-(3-hydroxy-4-methoxyphenyl)-2-methyl-N-(3-phenylmethoxyphenyl)prop-2-enamide
CID 91476700
(E)-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-methylprop-2-enamide
CID 84575847
(E)-3-(4-hydroxy-3,5-dimethylphenyl)-N-(3-methoxyphenyl)-2-(pyridine-3-carbonyl)prop-2-enamide
CID 9042004
(E)-2-benzoyl-N,3-diphenylprop-2-enamide
CID 9448914
2-[(2,4-dimethoxyphenyl)methylidene]-N,N'-diphenylpropanediamide
CID 9446851
N-[(E)-1-(3,4-dimethoxyphenyl)-3-[3-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19308300
(E)-2-benzoyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9448951
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-(3-phenylmethoxyphenyl)prop-2-enamide
CID 45376472
(E)-3-(3-methoxyphenyl)-2-phenyl-N-pyridin-4-ylprop-2-enamide
CID 39953949
(E)-2-benzoyl-3-(3-ethoxy-2-methoxyphenyl)-N-phenylprop-2-enamide
CID 9448944
2-[(2-chloro-3-pyridinyl)methylidene]-N'-(3-methoxyphenyl)-N-phenylpropanediamide
CID 91969864
N-[3-(3-acetylanilino)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 1118396

Frequently Asked Questions

What is the IUPAC name of (E)-2-benzoyl-3-(3-hydroxy-4-methoxyphenyl)-N-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-benzoyl-3-(3-hydroxy-4-methoxyphenyl)-N-(3-methoxyphenyl)prop-2-enamide (CID 9448911) is (E)-2-benzoyl-3-(3-hydroxy-4-methoxyphenyl)-N-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-benzoyl-3-(3-hydroxy-4-methoxyphenyl)-N-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-benzoyl-3-(3-hydroxy-4-methoxyphenyl)-N-(3-methoxyphenyl)prop-2-enamide is COc1cccc(NC(=O)/C(=C/c2ccc(OC)c(O)c2)C(=O)c2ccccc2)c1.
What is the InChIKey of (E)-2-benzoyl-3-(3-hydroxy-4-methoxyphenyl)-N-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is BFFDIAXYUJXPQB-DEDYPNTBSA-N. The full InChI is InChI=1S/C24H21NO5/c1-29-19-10-6-9-18(15-19)25-24(28)20(23(27)17-7-4-3-5-8-17)13-16-11-12-22(30-2)21(26)14-16/h3-15,26H,1-2H3,(H,25,28)/b20-13+.
What are the key properties of (E)-2-benzoyl-3-(3-hydroxy-4-methoxyphenyl)-N-(3-methoxyphenyl)prop-2-enamide?
(E)-2-benzoyl-3-(3-hydroxy-4-methoxyphenyl)-N-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 403.43 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-benzoyl-3-(3-hydroxy-4-methoxyphenyl)-N-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 9448911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).