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

• ChemBase ID: 710934
• Molecular Formular: C24H30N2O2
• Molecular Mass: 378.5072
• Monoisotopic Mass: 378.23072821
• SMILES: N1C(=O)CCC1(CCC(=O)NCCC(c1ccccc1)c1ccccc1)CC
• Canonical SMILES: CCC1(CCC(=O)NCCC(c2ccccc2)c2ccccc2)CCC(=O)N1
• InChI: InChI=1S/C24H30N2O2/c1-2-24(17-14-23(28)26-24)16-13-22(27)25-18-15-21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21H,2,13-18H2,1H3,(H,25,27)(H,26,28)
• InChIKey: PPYYHOKKIJNMJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.269436
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.5821733
• LogD (pH = 7.4): 3.5821736
• Log P: 3.5821736
• Molar Refractivity: 111.9604 cm^3
• Polarizability: 43.719635 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.53
• LOG S: -3.79
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 8