N-[3-(2,6-dimethylphenoxy)propyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

• ChemBase编号: 445162
• 分子式: C17H24N2O4
• 平均质量: 320.38346
• 单一同位素质量: 320.17360726
• SMILES: C1(=O)N(CC(=O)N(CCCOc2c(cccc2C)C)C)CCO1
• Canonical SMILES: O=C(N(CCCOc1c(C)cccc1C)C)CN1CCOC1=O
• InChI: InChI=1S/C17H24N2O4/c1-13-6-4-7-14(2)16(13)22-10-5-8-18(3)15(20)12-19-9-11-23-17(19)21/h4,6-7H,5,8-12H2,1-3H3
• InChIKey: LUFVDNVENAHBHE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[3-(2,6-dimethylphenoxy)propyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• IUPAC传统名: N-[3-(2,6-dimethylphenoxy)propyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• 别名: N-[3-(2,6-dimethylphenoxy)propyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

理论计算性质

JChem

• Acid pKa: 18.421547
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.714075
• LogD (pH = 7.4): 1.714075
• Log P: 1.714075
• 摩尔折射率: 87.1141 cm^3
• 极化性: 33.518753 Å^3
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 3.23
• LOG S: -4.29
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 7