1-cyclopropyl-N-[3-(1H-indol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide

• ChemBase ID: 595343
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: N1(C(=O)CC(C1)C(=O)NCCCn1ccc2c1cccc2)C1CC1
• Canonical SMILES: O=C(C1CC(=O)N(C1)C1CC1)NCCCn1ccc2c1cccc2
• InChI: InChI=1S/C19H23N3O2/c23-18-12-15(13-22(18)16-6-7-16)19(24)20-9-3-10-21-11-8-14-4-1-2-5-17(14)21/h1-2,4-5,8,11,15-16H,3,6-7,9-10,12-13H2,(H,20,24)
• InChIKey: OUPXVQJXFZGACS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-N-[3-(1H-indol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopropyl-N-[3-(indol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
• Synonyms: 1-cyclopropyl-N-[3-(1H-indol-1-yl)propyl]-5-oxo-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.884797
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0891353
• LogD (pH = 7.4): 1.0891354
• Log P: 1.0891354
• Molar Refractivity: 92.1082 cm^3
• Polarizability: 36.747154 Å^3
• Polar Surface Area: 54.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.29
• LOG S: -2.67
• Polar Surface Area: 54.34 Å^2
• Rotatable Bonds: 6