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

• ChemBase ID: 491651
• Molecular Formular: C17H23N3O3
• Molecular Mass: 317.38282
• Monoisotopic Mass: 317.17394161
• SMILES: C1(=O)N(CC(C1)NC(=O)CNC(=O)C)CCCc1ccccc1
• Canonical SMILES: O=C(NC1CN(C(=O)C1)CCCc1ccccc1)CNC(=O)C
• InChI: InChI=1S/C17H23N3O3/c1-13(21)18-11-16(22)19-15-10-17(23)20(12-15)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3,(H,18,21)(H,19,22)
• InChIKey: IEOFYNAYGNOIMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Log P: -0.21054482
• Molar Refractivity: 86.2355 cm^3
• Polarizability: 33.49977 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 13.081056
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.21054488
• LogD (pH = 7.4): -0.21054563

供应商提供(Chembridge)

• Log P: 1.5
• LOG S: -1.62
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 7
• H Acceptors: 3
• H Donor: 2