N-[(2S)-1,1-diphenylpropan-2-yl]-4-(2-oxopyrrolidin-1-yl)butanamide

• ChemBase ID: 352512
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: N1(C(=O)CCC1)CCCC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C
• Canonical SMILES: O=C(N[C@H](C(c1ccccc1)c1ccccc1)C)CCCN1CCCC1=O
• InChI: InChI=1S/C23H28N2O2/c1-18(24-21(26)14-8-16-25-17-9-15-22(25)27)23(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,18,23H,8-9,14-17H2,1H3,(H,24,26)/t18-/m0/s1
• InChIKey: KCOXXQXIMBLFDY-SFHVURJKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2S)-1,1-diphenylpropan-2-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
• IUPAC Traditional name: N-[(2S)-1,1-diphenylpropan-2-yl]-4-(2-oxopyrrolidin-1-yl)butanamide
• Synonyms: N-[(1S)-1-methyl-2,2-diphenylethyl]-4-(2-oxopyrrolidin-1-yl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.850066
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9929435
• LogD (pH = 7.4): 2.9929435
• Log P: 2.9929435
• Molar Refractivity: 107.7655 cm^3
• Polarizability: 41.87473 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.98
• LOG S: -4.4
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 8