N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-indole-6-carboxamide

• ChemBase ID: 392815
• Molecular Formular: C22H23N3O2
• Molecular Mass: 361.43692
• Monoisotopic Mass: 361.17902699
• SMILES: C1(=O)N(CC(C1)NC(=O)c1cc2[nH]ccc2cc1)CCCc1ccccc1
• Canonical SMILES: O=C1CC(CN1CCCc1ccccc1)NC(=O)c1ccc2c(c1)[nH]cc2
• InChI: InChI=1S/C22H23N3O2/c26-21-14-19(15-25(21)12-4-7-16-5-2-1-3-6-16)24-22(27)18-9-8-17-10-11-23-20(17)13-18/h1-3,5-6,8-11,13,19,23H,4,7,12,14-15H2,(H,24,27)
• InChIKey: BOGPJJQIWBKONF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-indole-6-carboxamide
• IUPAC Traditional name: N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]-1H-indole-6-carboxamide
• Synonyms: N-[5-oxo-1-(3-phenylpropyl)-3-pyrrolidinyl]-1H-indole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.767128
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8476746
• LogD (pH = 7.4): 2.8476748
• Log P: 2.8476748
• Molar Refractivity: 105.189 cm^3
• Polarizability: 41.34501 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: 3.95
• LOG S: -4.78
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 6