N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(furan-2-yl)-2-oxoacetamide

• ChemBase ID: 701415
• Molecular Formular: C17H22N2O4
• Molecular Mass: 318.36758
• Monoisotopic Mass: 318.15795719
• SMILES: N1(C(=O)CC(NC(=O)C(=O)c2occc2)C1)C1CCCCCC1
• Canonical SMILES: O=C1CC(CN1C1CCCCCC1)NC(=O)C(=O)c1ccco1
• InChI: InChI=1S/C17H22N2O4/c20-15-10-12(11-19(15)13-6-3-1-2-4-7-13)18-17(22)16(21)14-8-5-9-23-14/h5,8-9,12-13H,1-4,6-7,10-11H2,(H,18,22)
• InChIKey: BZZMJNLCNBNQGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(furan-2-yl)-2-oxoacetamide
• IUPAC Traditional name: N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-(furan-2-yl)-2-oxoacetamide
• Synonyms: N-(1-cycloheptyl-5-oxo-3-pyrrolidinyl)-2-(2-furyl)-2-oxoacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.81321
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4549541
• LogD (pH = 7.4): 1.4549396
• Log P: 1.4549545
• Molar Refractivity: 83.0815 cm^3
• Polarizability: 32.209785 Å^3
• Polar Surface Area: 79.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.01
• LOG S: -3.02
• Polar Surface Area: 79.62 Å^2
• Rotatable Bonds: 4