2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(2-ethylphenoxy)ethyl]-N-methylacetamide

• ChemBase编号: 481887
• 分子式: C18H25N3O4
• 平均质量: 347.4088
• 单一同位素质量: 347.1845063
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)N(CCOc1c(CC)cccc1)C)C)C
• Canonical SMILES: CCc1ccccc1OCCN(C(=O)CC1N(C)C(=O)N(C1=O)C)C
• InChI: InChI=1S/C18H25N3O4/c1-5-13-8-6-7-9-15(13)25-11-10-19(2)16(22)12-14-17(23)21(4)18(24)20(14)3/h6-9,14H,5,10-12H2,1-4H3
• InChIKey: RPLKQJRQJHKYDJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(2-ethylphenoxy)ethyl]-N-methylacetamide
• IUPAC传统名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(2-ethylphenoxy)ethyl]-N-methylacetamide
• 别名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(2-ethylphenoxy)ethyl]-N-methylacetamide

理论计算性质

JChem

• Acid pKa: 14.187127
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.1665331
• LogD (pH = 7.4): 1.1665331
• Log P: 1.1665332
• 摩尔折射率: 93.1788 cm^3
• 极化性: 35.963966 Å^3
• 极化表面积: 70.16 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: 2.37
• LOG S: -3.75
• 极化表面积: 70.16 Å^2
• 可自由旋转的化学键: 7