(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide

C23H21NO2 — CID 175523541

IUPAC(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
SMILESCOc1ccc(/C(=C\c2ccccc2)C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C23H21NO2/c1-17-8-12-20(13-9-17)24-23(25)22(16-18-6-4-3-5-7-18)19-10-14-21(26-2)15-11-19/h3-16H,1-2H3,(H,24,25)/b22-16+
InChIKeyNVKPYJZBWGYHNJ-CJLVFECKSA-N
MW343.43 g/mol
LogP5.18
Rot. Bonds5

About (E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide

(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide (PubChem CID 175523541) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
PubChem CID175523541
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide
SMILESCOc1ccc(/C(=C\c2ccccc2)C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C23H21NO2/c1-17-8-12-20(13-9-17)24-23(25)22(16-18-6-4-3-5-7-18)19-10-14-21(26-2)15-11-19/h3-16H,1-2H3,(H,24,25)/b22-16+
InChIKeyNVKPYJZBWGYHNJ-CJLVFECKSA-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-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316043
(E)-N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316041
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1316446
(E)-N-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1321037
(Z)-2-methoxy-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 56968197
(E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1334364
(E)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 43881759
(E)-3-(4-methoxyphenyl)-2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]prop-2-enamide
CID 108751458
(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
CID 5372226
4-[[(Z)-3-(4-methoxyphenyl)-2-[(4-methylbenzoyl)amino]prop-2-enoyl]amino]benzoic acid
CID 24762063
3-(4-methoxyphenyl)-N-(3-methylsulfanylphenyl)-2-phenylprop-2-enamide
CID 2928456
(Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 5371270

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide (CID 175523541) is (E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide is COc1ccc(/C(=C\c2ccccc2)C(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of (E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide?
The InChIKey is NVKPYJZBWGYHNJ-CJLVFECKSA-N. The full InChI is InChI=1S/C23H21NO2/c1-17-8-12-20(13-9-17)24-23(25)22(16-18-6-4-3-5-7-18)19-10-14-21(26-2)15-11-19/h3-16H,1-2H3,(H,24,25)/b22-16+.
What are the key properties of (E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide?
(E)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-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)-2-(4-methoxyphenyl)-N-(4-methylphenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 175523541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).