(E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide

C23H21NO2 — CID 731540

IUPAC(E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide
SMILESCOc1ccc(C)cc1NC(=O)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO2/c1-17-13-14-22(26-2)21(15-17)24-23(25)20(19-11-7-4-8-12-19)16-18-9-5-3-6-10-18/h3-16H,1-2H3,(H,24,25)/b20-16+
InChIKeyGEDFNQURZOGFLZ-CAPFRKAQSA-N
MW343.43 g/mol
LogP5.18
Rot. Bonds5

About (E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide

(E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide (PubChem CID 731540) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide
PubChem CID731540
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name(E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide
SMILESCOc1ccc(C)cc1NC(=O)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C23H21NO2/c1-17-13-14-22(26-2)21(15-17)24-23(25)20(19-11-7-4-8-12-19)16-18-9-5-3-6-10-18/h3-16H,1-2H3,(H,24,25)/b20-16+
InChIKeyGEDFNQURZOGFLZ-CAPFRKAQSA-N
XLogP5.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(2-methoxy-4-methylphenyl)-2,3-diphenylprop-2-enamide
CID 6140104
N-(5-chloro-2-methoxyphenyl)-2,3-diphenylprop-2-enamide
CID 5085648
(E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide
CID 6512373
(Z)-2-bromo-N-(2-methoxy-5-methylphenyl)-3-phenylprop-2-enamide
CID 716265
N-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide
CID 4565641
(E)-N-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1321037
(E)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 43881759
(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523541
(E)-N-(2-bromophenyl)-2-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523507
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
(E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide
CID 19174131
(E)-N-(2-ethoxyphenyl)-2,3-diphenylprop-2-enamide
CID 6522812

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide?
The IUPAC name of (E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide (CID 731540) is (E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide?
The canonical SMILES for (E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide is COc1ccc(C)cc1NC(=O)/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide?
The InChIKey is GEDFNQURZOGFLZ-CAPFRKAQSA-N. The full InChI is InChI=1S/C23H21NO2/c1-17-13-14-22(26-2)21(15-17)24-23(25)20(19-11-7-4-8-12-19)16-18-9-5-3-6-10-18/h3-16H,1-2H3,(H,24,25)/b20-16+.
What are the key properties of (E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide?
(E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide has a molecular weight of 343.43 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 731540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).