N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(2-phenylethyl)acetamide

• ChemBase编号: 343530
• 分子式: C20H22N2O3
• 平均质量: 338.40028
• 单一同位素质量: 338.16304257
• SMILES: N1(C(=O)OC[C@@H]1c1ccccc1)CC(=O)N(CCc1ccccc1)C
• Canonical SMILES: CN(C(=O)CN1C(=O)OC[C@@H]1c1ccccc1)CCc1ccccc1
• InChI: InChI=1S/C20H22N2O3/c1-21(13-12-16-8-4-2-5-9-16)19(23)14-22-18(15-25-20(22)24)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3/t18-/m1/s1
• InChIKey: SGROYPOHNGZGDR-GOSISDBHSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(2-phenylethyl)acetamide
• IUPAC传统名: N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(2-phenylethyl)acetamide
• 别名: N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(2-phenylethyl)acetamide

理论计算性质

JChem

• Acid pKa: 18.393236
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.7805974
• LogD (pH = 7.4): 2.7805974
• Log P: 2.7805974
• 摩尔折射率: 95.2645 cm^3
• 极化性: 37.030437 Å^3
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.96
• LOG S: -4.19
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 6