N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide

• ChemBase ID: 741004
• Molecular Formular: C16H24N2O3
• Molecular Mass: 292.37336
• Monoisotopic Mass: 292.17869264
• SMILES: N1(C(=O)CC(C1)NC(=O)CCc1occc1)CC(C)(C)C
• Canonical SMILES: O=C(NC1CC(=O)N(C1)CC(C)(C)C)CCc1ccco1
• InChI: InChI=1S/C16H24N2O3/c1-16(2,3)11-18-10-12(9-15(18)20)17-14(19)7-6-13-5-4-8-21-13/h4-5,8,12H,6-7,9-11H2,1-3H3,(H,17,19)
• InChIKey: LWLNQUYUMYXXMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide
• IUPAC Traditional name: N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)propanamide
• Synonyms: N-[1-(2,2-dimethylpropyl)-5-oxo-3-pyrrolidinyl]-3-(2-furyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.280624
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.242587
• LogD (pH = 7.4): 1.2425871
• Log P: 1.2425871
• Molar Refractivity: 79.4735 cm^3
• Polarizability: 30.997593 Å^3
• Polar Surface Area: 62.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.89
• LOG S: -1.99
• Polar Surface Area: 62.55 Å^2
• Rotatable Bonds: 6