2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(2-phenoxyphenyl)ethyl]acetamide

• ChemBase编号: 640007
• 分子式: C19H19N3O4
• 平均质量: 353.37186
• 单一同位素质量: 353.1375561
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCCc1c(Oc2ccccc2)cccc1
• Canonical SMILES: O=C(CN1C(=O)CNC1=O)NCCc1ccccc1Oc1ccccc1
• InChI: InChI=1S/C19H19N3O4/c23-17(13-22-18(24)12-21-19(22)25)20-11-10-14-6-4-5-9-16(14)26-15-7-2-1-3-8-15/h1-9H,10-13H2,(H,20,23)(H,21,25)
• InChIKey: RJPAYNVSRCAVIQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(2-phenoxyphenyl)ethyl]acetamide
• IUPAC传统名: 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-(2-phenoxyphenyl)ethyl]acetamide
• 别名: 2-(2,5-dioxo-1-imidazolidinyl)-N-[2-(2-phenoxyphenyl)ethyl]acetamide

理论计算性质

JChem

• Acid pKa: 11.731681
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 1.1815937
• LogD (pH = 7.4): 1.1815739
• Log P: 1.1815939
• 摩尔折射率: 94.3547 cm^3
• 极化性: 36.466496 Å^3
• 极化表面积: 87.74 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: 2
• Log P: 1.75
• LOG S: -3.27
• 极化表面积: 87.74 Å^2
• 可自由旋转的化学键: 7