2-(2-oxoimidazolidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)acetamide

• ChemBase编号: 428655
• 分子式: C18H25N3O4
• 平均质量: 347.4088
• 单一同位素质量: 347.1845063
• SMILES: C1(=O)N(CC(=O)N(CC2OCCC2)CCOc2ccccc2)CCN1
• Canonical SMILES: O=C(N(CC1CCCO1)CCOc1ccccc1)CN1CCNC1=O
• InChI: InChI=1S/C18H25N3O4/c22-17(14-21-9-8-19-18(21)23)20(13-16-7-4-11-24-16)10-12-25-15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H,19,23)
• InChIKey: MTESRBFZIPQYME-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2-oxoimidazolidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)acetamide
• IUPAC传统名: 2-(2-oxoimidazolidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)acetamide
• 别名: 2-(2-oxoimidazolidin-1-yl)-N-(2-phenoxyethyl)-N-(tetrahydrofuran-2-ylmethyl)acetamide

理论计算性质

JChem

• Acid pKa: 13.670179
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 0.31670085
• LogD (pH = 7.4): 0.31670064
• Log P: 0.31670085
• 摩尔折射率: 92.3708 cm^3
• 极化性: 35.933083 Å^3
• 极化表面积: 71.11 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: 4
• 质子供体: 1
• Log P: 0.85
• LOG S: -2.46
• 极化表面积: 71.11 Å^2
• 可自由旋转的化学键: 8