N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide

• ChemBase ID: 730835
• Molecular Formular: C22H23N3O2
• Molecular Mass: 361.43692
• Monoisotopic Mass: 361.17902699
• SMILES: c1([nH]c2c(c1)cccc2)C(=O)NC1CC(=O)N(C1)CCCc1ccccc1
• Canonical SMILES: O=C1CC(CN1CCCc1ccccc1)NC(=O)c1cc2c([nH]1)cccc2
• InChI: InChI=1S/C22H23N3O2/c26-21-14-18(15-25(21)12-6-9-16-7-2-1-3-8-16)23-22(27)20-13-17-10-4-5-11-19(17)24-20/h1-5,7-8,10-11,13,18,24H,6,9,12,14-15H2,(H,23,27)
• InChIKey: YVZDCOCBYYSWPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide
• IUPAC Traditional name: N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide
• Synonyms: N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.363069
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.7676759
• LogD (pH = 7.4): 2.7676718
• Log P: 2.7676759
• Molar Refractivity: 105.0665 cm^3
• Polarizability: 41.3498 Å^3
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.66
• LOG S: -4.96
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 6