N-{1-[(4-methylphenyl)methyl]cyclopropyl}-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

• ChemBase编号: 410830
• 分子式: C16H20N2O3
• 平均质量: 288.3416
• 单一同位素质量: 288.14739251
• SMILES: C1(=O)N(CC(=O)NC2(CC2)Cc2ccc(cc2)C)CCO1
• Canonical SMILES: O=C(NC1(CC1)Cc1ccc(cc1)C)CN1CCOC1=O
• InChI: InChI=1S/C16H20N2O3/c1-12-2-4-13(5-3-12)10-16(6-7-16)17-14(19)11-18-8-9-21-15(18)20/h2-5H,6-11H2,1H3,(H,17,19)
• InChIKey: SVBLUAHUCFUGFP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{1-[(4-methylphenyl)methyl]cyclopropyl}-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• IUPAC传统名: N-{1-[(4-methylphenyl)methyl]cyclopropyl}-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• 别名: N-[1-(4-methylbenzyl)cyclopropyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

理论计算性质

JChem

• Acid pKa: 15.251646
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.6754357
• LogD (pH = 7.4): 1.6754357
• Log P: 1.6754357
• 摩尔折射率: 78.227 cm^3
• 极化性: 30.333664 Å^3
• 极化表面积: 58.64 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 1.56
• LOG S: -2.63
• 极化表面积: 58.64 Å^2
• 可自由旋转的化学键: 5