3-(furan-2-yl)-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide

• ChemBase ID: 409135
• Molecular Formular: C19H22N2O3
• Molecular Mass: 326.38958
• Monoisotopic Mass: 326.16304257
• SMILES: N1(C(=O)CC(C1)NC(=O)CCc1occc1)CCc1ccccc1
• Canonical SMILES: O=C(NC1CC(=O)N(C1)CCc1ccccc1)CCc1ccco1
• InChI: InChI=1S/C19H22N2O3/c22-18(9-8-17-7-4-12-24-17)20-16-13-19(23)21(14-16)11-10-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2,(H,20,22)
• InChIKey: WBCKSZBUQXFQED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.232996
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6334174
• LogD (pH = 7.4): 1.6334174
• Log P: 1.6334174
• Molar Refractivity: 90.6988 cm^3
• Polarizability: 35.051434 Å^3
• Polar Surface Area: 62.55 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.96
• LOG S: -3.13
• Polar Surface Area: 62.55 Å^2
• Rotatable Bonds: 7