(E)-2-benzoyl-3-(3-ethoxy-2-methoxyphenyl)-N-phenylprop-2-enamide

C25H23NO4 — CID 9448944

IUPAC(E)-2-benzoyl-3-(3-ethoxy-2-methoxyphenyl)-N-phenylprop-2-enamide
SMILESCCOc1cccc(/C=C(/C(=O)Nc2ccccc2)C(=O)c2ccccc2)c1OC
InChIInChI=1S/C25H23NO4/c1-3-30-22-16-10-13-19(24(22)29-2)17-21(23(27)18-11-6-4-7-12-18)25(28)26-20-14-8-5-9-15-20/h4-17H,3H2,1-2H3,(H,26,28)/b21-17+
InChIKeyYSJITIPQUMTZJD-HEHNFIMWSA-N
MW401.46 g/mol
LogP5.00
Rot. Bonds8

About (E)-2-benzoyl-3-(3-ethoxy-2-methoxyphenyl)-N-phenylprop-2-enamide

(E)-2-benzoyl-3-(3-ethoxy-2-methoxyphenyl)-N-phenylprop-2-enamide (PubChem CID 9448944) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is (E)-2-benzoyl-3-(3-ethoxy-2-methoxyphenyl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-benzoyl-3-(3-ethoxy-2-methoxyphenyl)-N-phenylprop-2-enamide
PubChem CID9448944
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name(E)-2-benzoyl-3-(3-ethoxy-2-methoxyphenyl)-N-phenylprop-2-enamide
SMILESCCOc1cccc(/C=C(/C(=O)Nc2ccccc2)C(=O)c2ccccc2)c1OC
InChIInChI=1S/C25H23NO4/c1-3-30-22-16-10-13-19(24(22)29-2)17-21(23(27)18-11-6-4-7-12-18)25(28)26-20-14-8-5-9-15-20/h4-17H,3H2,1-2H3,(H,26,28)/b21-17+
InChIKeyYSJITIPQUMTZJD-HEHNFIMWSA-N
XLogP5.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(Z)-2-cyano-3-(2-ethoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 19183626
(E)-2-benzoyl-N,3-diphenylprop-2-enamide
CID 9448914
(E)-3-(3-ethoxy-2-methoxyphenyl)-2-(4-methoxybenzoyl)prop-2-enenitrile
CID 8828931
N-[(E)-(3-ethoxy-2-methoxyphenyl)methylideneamino]aniline
CID 110504926
N-[(Z)-1-(2,3-dimethoxyphenyl)-3-(4-methylanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 6528832
N-[(Z)-1-(2,3-dimethoxyphenyl)-3-[4-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]anilino]-3-oxoprop-1-en-2-yl]benzamide
CID 22787172
3-(3-ethoxy-2-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334340
(E)-2-cyano-3-(3-ethoxy-2-methoxyphenyl)-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7966992
(E)-2-benzoyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9448951
1-ethoxy-2-methoxy-3-[(Z)-2-nitrobut-1-enyl]benzene
CID 55016783
N-[(Z)-3-[4-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]anilino]-1-(4-ethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22787496
(E)-2-benzoyl-3-(3-hydroxy-4-methoxyphenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 9448911

Frequently Asked Questions

What is the IUPAC name of (E)-2-benzoyl-3-(3-ethoxy-2-methoxyphenyl)-N-phenylprop-2-enamide?
The IUPAC name of (E)-2-benzoyl-3-(3-ethoxy-2-methoxyphenyl)-N-phenylprop-2-enamide (CID 9448944) is (E)-2-benzoyl-3-(3-ethoxy-2-methoxyphenyl)-N-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-benzoyl-3-(3-ethoxy-2-methoxyphenyl)-N-phenylprop-2-enamide?
The canonical SMILES for (E)-2-benzoyl-3-(3-ethoxy-2-methoxyphenyl)-N-phenylprop-2-enamide is CCOc1cccc(/C=C(/C(=O)Nc2ccccc2)C(=O)c2ccccc2)c1OC.
What is the InChIKey of (E)-2-benzoyl-3-(3-ethoxy-2-methoxyphenyl)-N-phenylprop-2-enamide?
The InChIKey is YSJITIPQUMTZJD-HEHNFIMWSA-N. The full InChI is InChI=1S/C25H23NO4/c1-3-30-22-16-10-13-19(24(22)29-2)17-21(23(27)18-11-6-4-7-12-18)25(28)26-20-14-8-5-9-15-20/h4-17H,3H2,1-2H3,(H,26,28)/b21-17+.
What are the key properties of (E)-2-benzoyl-3-(3-ethoxy-2-methoxyphenyl)-N-phenylprop-2-enamide?
(E)-2-benzoyl-3-(3-ethoxy-2-methoxyphenyl)-N-phenylprop-2-enamide has a molecular weight of 401.46 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-benzoyl-3-(3-ethoxy-2-methoxyphenyl)-N-phenylprop-2-enamide is sourced from PubChem (CID 9448944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).