(E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide

C23H21NO — CID 6512373

IUPAC(E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide
SMILESCc1ccc(C)c(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H21NO/c1-17-13-14-18(2)22(15-17)24-23(25)21(20-11-7-4-8-12-20)16-19-9-5-3-6-10-19/h3-16H,1-2H3,(H,24,25)/b21-16+
InChIKeyFKCJIKXXOADBAX-LTGZKZEYSA-N
MW327.43 g/mol
LogP5.48
Rot. Bonds4

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

(E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide (PubChem CID 6512373) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is (E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide
PubChem CID6512373
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name(E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide
SMILESCc1ccc(C)c(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H21NO/c1-17-13-14-18(2)22(15-17)24-23(25)21(20-11-7-4-8-12-20)16-19-9-5-3-6-10-19/h3-16H,1-2H3,(H,24,25)/b21-16+
InChIKeyFKCJIKXXOADBAX-LTGZKZEYSA-N
XLogP5.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(E)-N-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1321037
N-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide
CID 4565641
(E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide
CID 731540
3-(2-chlorophenyl)-N-(2,5-dimethylphenyl)-2-phenylprop-2-enamide
CID 2915971
(Z)-N-(2-methoxy-4-methylphenyl)-2,3-diphenylprop-2-enamide
CID 6140104
(E)-N-(4-chloro-2-methylphenyl)-2,3-diphenylprop-2-enamide
CID 19174131
(E)-N-(2-bromophenyl)-2-(4-methylphenyl)-3-phenylprop-2-enamide
CID 175523507
2,3-diphenyl-N-(2,4,5-trichlorophenyl)prop-2-enamide
CID 4287283
(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2,3-diphenylprop-2-enamide
CID 92683153
2-benzylidene-N,N'-bis(2,4-dimethylphenyl)propanediamide
CID 7972340
(E)-N-(5-acetyl-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide
CID 110618434
(E)-N-(2,5-dichlorophenyl)-2,3-diphenylprop-2-enamide
CID 6526443

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide?
The IUPAC name of (E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide (CID 6512373) is (E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide?
The canonical SMILES for (E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide is Cc1ccc(C)c(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide?
The InChIKey is FKCJIKXXOADBAX-LTGZKZEYSA-N. The full InChI is InChI=1S/C23H21NO/c1-17-13-14-18(2)22(15-17)24-23(25)21(20-11-7-4-8-12-20)16-19-9-5-3-6-10-19/h3-16H,1-2H3,(H,24,25)/b21-16+.
What are the key properties of (E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide?
(E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide has a molecular weight of 327.43 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 6512373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).