2-methoxy-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide

• ChemBase ID: 670279
• Molecular Formular: C15H20N2O3
• Molecular Mass: 276.3309
• Monoisotopic Mass: 276.14739251
• SMILES: N1(C(=O)CC(C1)NC(=O)COC)CCc1ccccc1
• Canonical SMILES: COCC(=O)NC1CN(C(=O)C1)CCc1ccccc1
• InChI: InChI=1S/C15H20N2O3/c1-20-11-14(18)16-13-9-15(19)17(10-13)8-7-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,16,18)
• InChIKey: GPNVEZHLWWUJIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 1
• Log P: 1.72
• LOG S: -1.28

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 14.009199
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.27604818
• LogD (pH = 7.4): 0.27604812
• Log P: 0.2760482
• Molar Refractivity: 75.2844 cm^3
• Polarizability: 29.294153 Å^3
• Polar Surface Area: 58.64 Å^2