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

• ChemBase ID: 788607
• Molecular Formular: C16H22N2O3
• Molecular Mass: 290.35748
• Monoisotopic Mass: 290.16304257
• SMILES: C1(=O)N(CC(C1)NC(=O)COC)CCCc1ccccc1
• Canonical SMILES: COCC(=O)NC1CN(C(=O)C1)CCCc1ccccc1
• InChI: InChI=1S/C16H22N2O3/c1-21-12-15(19)17-14-10-16(20)18(11-14)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H,17,19)
• InChIKey: NHLLXOTWSCHLTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.005444
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7206168
• LogD (pH = 7.4): 0.72061676
• Log P: 0.7206169
• Molar Refractivity: 79.8854 cm^3
• Polarizability: 31.131744 Å^3
• Polar Surface Area: 58.64 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: 2.1
• LOG S: -1.65
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6