N-{1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl}-2-oxo-2-phenylacetamide

• ChemBase ID: 571404
• Molecular Formular: C21H22N2O4
• Molecular Mass: 366.41038
• Monoisotopic Mass: 366.15795719
• SMILES: N1(C(=O)CC(NC(=O)C(=O)c2ccccc2)C1)CCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCN1CC(CC1=O)NC(=O)C(=O)c1ccccc1
• InChI: InChI=1S/C21H22N2O4/c1-27-18-9-7-15(8-10-18)11-12-23-14-17(13-19(23)24)22-21(26)20(25)16-5-3-2-4-6-16/h2-10,17H,11-14H2,1H3,(H,22,26)
• InChIKey: PGUIEYKKWIXRIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl}-2-oxo-2-phenylacetamide
• IUPAC Traditional name: N-{1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl}-2-oxo-2-phenylacetamide
• Synonyms: N-{1-[2-(4-methoxyphenyl)ethyl]-5-oxo-3-pyrrolidinyl}-2-oxo-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.147012
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0063317
• LogD (pH = 7.4): 2.0063248
• Log P: 2.0063317
• Molar Refractivity: 100.9062 cm^3
• Polarizability: 38.914127 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.35
• LOG S: -3.24
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 6