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

• ChemBase编号: 395936
• 分子式: C18H25N3O5
• 平均质量: 363.4082
• 单一同位素质量: 363.17942092
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)N(CCc1cc(c(cc1)OC)OC)C)C)C
• Canonical SMILES: COc1cc(CCN(C(=O)CC2N(C)C(=O)N(C2=O)C)C)ccc1OC
• InChI: InChI=1S/C18H25N3O5/c1-19(9-8-12-6-7-14(25-4)15(10-12)26-5)16(22)11-13-17(23)21(3)18(24)20(13)2/h6-7,10,13H,8-9,11H2,1-5H3
• InChIKey: ZXEGSLKUVYUUIM-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 14.190474
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 0.2622853
• LogD (pH = 7.4): 0.26228523
• Log P: 0.2622853
• 摩尔折射率: 95.2784 cm^3
• 极化性: 36.74746 Å^3
• 极化表面积: 79.39 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: -0.36
• LOG S: -2.85
• 极化表面积: 79.39 Å^2
• 可自由旋转的化学键: 7