N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide

• ChemBase ID: 502498
• Molecular Formular: C17H23N3O3
• Molecular Mass: 317.38282
• Monoisotopic Mass: 317.17394161
• SMILES: C1(=O)N(CC(=O)N(CC2CN(c3ccccc3)CC2)C)CCO1
• Canonical SMILES: O=C(N(CC1CCN(C1)c1ccccc1)C)CN1CCOC1=O
• InChI: InChI=1S/C17H23N3O3/c1-18(16(21)13-20-9-10-23-17(20)22)11-14-7-8-19(12-14)15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3
• InChIKey: YODJPRPWLZIEKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
• IUPAC Traditional name: N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
• Synonyms: N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.419144
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8072201
• LogD (pH = 7.4): 0.9564606
• Log P: 0.95873797
• Molar Refractivity: 87.6819 cm^3
• Polarizability: 33.39854 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.77
• LOG S: -2.17
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 5