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

• ChemBase编号: 778199
• 分子式: C18H24N2O3
• 平均质量: 316.39476
• 单一同位素质量: 316.17869264
• SMILES: N1(C(=O)OC[C@@H]1c1ccccc1)CC(=O)N(C1CCCCC1)C
• Canonical SMILES: CN(C(=O)CN1C(=O)OC[C@@H]1c1ccccc1)C1CCCCC1
• InChI: InChI=1S/C18H24N2O3/c1-19(15-10-6-3-7-11-15)17(21)12-20-16(13-23-18(20)22)14-8-4-2-5-9-14/h2,4-5,8-9,15-16H,3,6-7,10-13H2,1H3/t16-/m1/s1
• InChIKey: FLHNHVIFFRHTPF-MRXNPFEDSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 18.36287
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.5667336
• LogD (pH = 7.4): 2.5667336
• Log P: 2.5667336
• 摩尔折射率: 86.9111 cm^3
• 极化性: 34.081707 Å^3
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.83
• LOG S: -3.92
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 4