2-(2,5-dioxoimidazolidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)acetamide

• ChemBase编号: 748114
• 分子式: C18H23N3O5
• 平均质量: 361.39232
• 单一同位素质量: 361.16377085
• SMILES: N1(C(=O)NCC1=O)CC(=O)N(CC1OCCC1)CCOc1ccccc1
• Canonical SMILES: O=C(N(CC1CCCO1)CCOc1ccccc1)CN1C(=O)CNC1=O
• InChI: InChI=1S/C18H23N3O5/c22-16-11-19-18(24)21(16)13-17(23)20(12-15-7-4-9-25-15)8-10-26-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,19,24)
• InChIKey: DCUHPHBKWYUZES-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,5-dioxoimidazolidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)acetamide
• IUPAC传统名: 2-(2,5-dioxoimidazolidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)acetamide
• 别名: 2-(2,5-dioxo-1-imidazolidinyl)-N-(2-phenoxyethyl)-N-(tetrahydro-2-furanylmethyl)acetamide

理论计算性质

JChem

• Acid pKa: 11.920139
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -0.045513105
• LogD (pH = 7.4): -0.0455259
• Log P: -0.04551294
• 摩尔折射率: 92.4499 cm^3
• 极化性: 36.050735 Å^3
• 极化表面积: 88.18 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 1
• Log P: -0.19
• LOG S: -2.98
• 极化表面积: 88.18 Å^2
• 可自由旋转的化学键: 8