N-(3,3-diphenylpropyl)-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide

• ChemBase ID: 820571
• Molecular Formular: C27H30N2O3
• Molecular Mass: 430.5387
• Monoisotopic Mass: 430.22564283
• SMILES: N1C(Cc2occc2)(CCC(=O)NCCC(c2ccccc2)c2ccccc2)CCC1=O
• Canonical SMILES: O=C(CCC1(CCC(=O)N1)Cc1ccco1)NCCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C27H30N2O3/c30-25(13-16-27(17-14-26(31)29-27)20-23-12-7-19-32-23)28-18-15-24(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,19,24H,13-18,20H2,(H,28,30)(H,29,31)
• InChIKey: IBKSCUIRYMTTCB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,3-diphenylpropyl)-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
• IUPAC Traditional name: N-(3,3-diphenylpropyl)-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
• Synonyms: N-(3,3-diphenylpropyl)-3-[2-(2-furylmethyl)-5-oxo-2-pyrrolidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.792302
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.5475225
• LogD (pH = 7.4): 3.5475225
• Log P: 3.5475228
• Molar Refractivity: 124.5567 cm^3
• Polarizability: 48.324768 Å^3
• Polar Surface Area: 71.34 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.74
• LOG S: -4.28
• Polar Surface Area: 71.34 Å^2
• Rotatable Bonds: 10