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

• ChemBase编号: 624960
• 分子式: C20H26N2O5
• 平均质量: 374.43084
• 单一同位素质量: 374.18417194
• SMILES: N1(C(=O)OC(C1=O)(C)C)CC(=O)N(Cc1c(OC)cccc1)C1CCCC1
• Canonical SMILES: COc1ccccc1CN(C(=O)CN1C(=O)OC(C1=O)(C)C)C1CCCC1
• InChI: InChI=1S/C20H26N2O5/c1-20(2)18(24)22(19(25)27-20)13-17(23)21(15-9-5-6-10-15)12-14-8-4-7-11-16(14)26-3/h4,7-8,11,15H,5-6,9-10,12-13H2,1-3H3
• InChIKey: NAGGKAIHRIQXGZ-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 16.010332
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.5440428
• LogD (pH = 7.4): 2.5440428
• Log P: 2.5440428
• 摩尔折射率: 98.3894 cm^3
• 极化性: 38.554764 Å^3
• 极化表面积: 76.15 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: 5
• 质子供体: 0
• Log P: 2.94
• LOG S: -4.44
• 极化表面积: 76.15 Å^2
• 可自由旋转的化学键: 6