N-(1,2-diphenylethyl)-3-(2-ethyl-5-oxopyrrolidin-2-yl)propanamide

• ChemBase ID: 707837
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: N1C(=O)CCC1(CCC(=O)NC(Cc1ccccc1)c1ccccc1)CC
• Canonical SMILES: CCC1(CCC(=O)NC(c2ccccc2)Cc2ccccc2)CCC(=O)N1
• InChI: InChI=1S/C23H28N2O2/c1-2-23(16-14-22(27)25-23)15-13-21(26)24-20(19-11-7-4-8-12-19)17-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3,(H,24,26)(H,25,27)
• InChIKey: YHYMTSWQKRJUSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,2-diphenylethyl)-3-(2-ethyl-5-oxopyrrolidin-2-yl)propanamide
• IUPAC Traditional name: N-(1,2-diphenylethyl)-3-(2-ethyl-5-oxopyrrolidin-2-yl)propanamide
• Synonyms: N-(1,2-diphenylethyl)-3-(2-ethyl-5-oxo-2-pyrrolidinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.387894
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.5010219
• LogD (pH = 7.4): 3.501022
• Log P: 3.501022
• Molar Refractivity: 106.9986 cm^3
• Polarizability: 41.87444 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.45
• LOG S: -3.46
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 7