(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2,3-diphenylprop-2-enamide

C25H25NO — CID 92683153

IUPAC(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2,3-diphenylprop-2-enamide
SMILESCc1ccc([C@H](C)NC(=O)/C(=C/c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C25H25NO/c1-18-14-15-23(19(2)16-18)20(3)26-25(27)24(22-12-8-5-9-13-22)17-21-10-6-4-7-11-21/h4-17,20H,1-3H3,(H,26,27)/b24-17+/t20-/m0/s1
InChIKeyGIEPDQVFHHFDIS-MHIQDMOBSA-N
MW355.48 g/mol
LogP5.72
Rot. Bonds5

About (E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2,3-diphenylprop-2-enamide

(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2,3-diphenylprop-2-enamide (PubChem CID 92683153) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is (E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2,3-diphenylprop-2-enamide
PubChem CID92683153
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2,3-diphenylprop-2-enamide
SMILESCc1ccc([C@H](C)NC(=O)/C(=C/c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C25H25NO/c1-18-14-15-23(19(2)16-18)20(3)26-25(27)24(22-12-8-5-9-13-22)17-21-10-6-4-7-11-21/h4-17,20H,1-3H3,(H,26,27)/b24-17+/t20-/m0/s1
InChIKeyGIEPDQVFHHFDIS-MHIQDMOBSA-N
XLogP5.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.72
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

2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718287
(E)-2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718290
(E)-N-(3-methylbutan-2-yl)-2,3-diphenylprop-2-enamide
CID 133240414
(E)-N-(2,5-dimethylphenyl)-2,3-diphenylprop-2-enamide
CID 6512373
(Z)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,3-diphenylprop-2-enamide
CID 108760126
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
N-(2-fluoro-5-methylphenyl)-2,3-diphenylprop-2-enamide
CID 4565641
5-[1-(2,4-dimethylphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62964709
(2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide
CID 94843687
(E)-N-(2-methoxy-5-methylphenyl)-2,3-diphenylprop-2-enamide
CID 731540
1-(3-acetylphenyl)-3-[1-(2,4-dimethylphenyl)ethyl]thiourea
CID 19675250

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2,3-diphenylprop-2-enamide?
The IUPAC name of (E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2,3-diphenylprop-2-enamide (CID 92683153) is (E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2,3-diphenylprop-2-enamide?
The canonical SMILES for (E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2,3-diphenylprop-2-enamide is Cc1ccc([C@H](C)NC(=O)/C(=C/c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of (E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2,3-diphenylprop-2-enamide?
The InChIKey is GIEPDQVFHHFDIS-MHIQDMOBSA-N. The full InChI is InChI=1S/C25H25NO/c1-18-14-15-23(19(2)16-18)20(3)26-25(27)24(22-12-8-5-9-13-22)17-21-10-6-4-7-11-21/h4-17,20H,1-3H3,(H,26,27)/b24-17+/t20-/m0/s1.
What are the key properties of (E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2,3-diphenylprop-2-enamide?
(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2,3-diphenylprop-2-enamide has a molecular weight of 355.48 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 92683153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).