N-[(5-chloro-2-ethoxyphenyl)methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

• ChemBase编号: 478206
• 分子式: C15H19ClN2O4
• 平均质量: 326.77536
• 单一同位素质量: 326.10333478
• SMILES: C1(=O)N(CC(=O)N(Cc2c(ccc(c2)Cl)OCC)C)CCO1
• Canonical SMILES: CN(C(=O)CN1CCOC1=O)Cc1cc(Cl)ccc1OCC
• InChI: InChI=1S/C15H19ClN2O4/c1-3-21-13-5-4-12(16)8-11(13)9-17(2)14(19)10-18-6-7-22-15(18)20/h4-5,8H,3,6-7,9-10H2,1-2H3
• InChIKey: ZVSUIKQDGGFEJT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(5-chloro-2-ethoxyphenyl)methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• IUPAC传统名: N-[(5-chloro-2-ethoxyphenyl)methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• 别名: N-(5-chloro-2-ethoxybenzyl)-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

理论计算性质

JChem

• Acid pKa: 18.374342
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.5108773
• LogD (pH = 7.4): 1.5108773
• Log P: 1.5108773
• 摩尔折射率: 82.2433 cm^3
• 极化性: 31.907959 Å^3
• 极化表面积: 59.08 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: 4
• 质子供体: 0
• Log P: 1.96
• LOG S: -3.26
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 6