N-cyclopropyl-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(2-ethoxyphenyl)methyl]acetamide

• ChemBase编号: 597986
• 分子式: C19H24N2O5
• 平均质量: 360.40426
• 单一同位素质量: 360.16852188
• SMILES: N1(C(=O)OC(C1=O)(C)C)CC(=O)N(Cc1c(OCC)cccc1)C1CC1
• Canonical SMILES: CCOc1ccccc1CN(C(=O)CN1C(=O)OC(C1=O)(C)C)C1CC1
• InChI: InChI=1S/C19H24N2O5/c1-4-25-15-8-6-5-7-13(15)11-20(14-9-10-14)16(22)12-21-17(23)19(2,3)26-18(21)24/h5-8,14H,4,9-12H2,1-3H3
• InChIKey: QIDQAUWDCJCTOJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(2-ethoxyphenyl)methyl]acetamide
• IUPAC传统名: N-cyclopropyl-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-[(2-ethoxyphenyl)methyl]acetamide
• 别名: N-cyclopropyl-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-N-(2-ethoxybenzyl)acetamide

理论计算性质

JChem

• Acid pKa: 16.010313
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.0117135
• LogD (pH = 7.4): 2.0117135
• Log P: 2.0117135
• 摩尔折射率: 93.936 cm^3
• 极化性: 36.721878 Å^3
• 极化表面积: 76.15 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: 5
• 质子供体: 0
• Log P: 2.34
• LOG S: -3.83
• 极化表面积: 76.15 Å^2
• 可自由旋转的化学键: 7