1-cyclopentyl-N-[3-(3-methylphenyl)propyl]-5-oxopyrrolidine-3-carboxamide

• ChemBase ID: 857907
• Molecular Formular: C20H28N2O2
• Molecular Mass: 328.44852
• Monoisotopic Mass: 328.21507815
• SMILES: N1(C(=O)CC(C1)C(=O)NCCCc1cc(ccc1)C)C1CCCC1
• Canonical SMILES: O=C(C1CC(=O)N(C1)C1CCCC1)NCCCc1cccc(c1)C
• InChI: InChI=1S/C20H28N2O2/c1-15-6-4-7-16(12-15)8-5-11-21-20(24)17-13-19(23)22(14-17)18-9-2-3-10-18/h4,6-7,12,17-18H,2-3,5,8-11,13-14H2,1H3,(H,21,24)
• InChIKey: ANTOHIXTIBGYIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-N-[3-(3-methylphenyl)propyl]-5-oxopyrrolidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-N-[3-(3-methylphenyl)propyl]-5-oxopyrrolidine-3-carboxamide
• Synonyms: 1-cyclopentyl-N-[3-(3-methylphenyl)propyl]-5-oxo-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.967424
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7652783
• LogD (pH = 7.4): 2.7652783
• Log P: 2.7652783
• Molar Refractivity: 95.3824 cm^3
• Polarizability: 36.990566 Å^3
• Polar Surface Area: 49.41 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: 2.75
• LOG S: -3.94
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6