N-(3,3-diphenylpropyl)-2-(2-oxopyrrolidin-1-yl)propanamide

• ChemBase ID: 841121
• Molecular Formular: C22H26N2O2
• Molecular Mass: 350.45404
• Monoisotopic Mass: 350.19942808
• SMILES: N1(C(=O)CCC1)C(C(=O)NCCC(c1ccccc1)c1ccccc1)C
• Canonical SMILES: O=C(C(N1CCCC1=O)C)NCCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C22H26N2O2/c1-17(24-16-8-13-21(24)25)22(26)23-15-14-20(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,17,20H,8,13-16H2,1H3,(H,23,26)
• InChIKey: LTPFYVLWROSWCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,3-diphenylpropyl)-2-(2-oxopyrrolidin-1-yl)propanamide
• IUPAC Traditional name: N-(3,3-diphenylpropyl)-2-(2-oxopyrrolidin-1-yl)propanamide
• Synonyms: N-(3,3-diphenylpropyl)-2-(2-oxopyrrolidin-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.654654
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9860737
• LogD (pH = 7.4): 2.9860737
• Log P: 2.9860737
• Molar Refractivity: 103.0642 cm^3
• Polarizability: 40.030903 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.96
• LOG S: -4.28
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 7