N-[3-(cyclohexyloxy)propyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide

• ChemBase编号: 404604
• 分子式: C19H25N3O4
• 平均质量: 359.4195
• 单一同位素质量: 359.1845063
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NCCCOC2CCCCC2)cc1
• Canonical SMILES: O=C1NC(=O)N(C1)c1ccc(cc1)C(=O)NCCCOC1CCCCC1
• InChI: InChI=1S/C19H25N3O4/c23-17-13-22(19(25)21-17)15-9-7-14(8-10-15)18(24)20-11-4-12-26-16-5-2-1-3-6-16/h7-10,16H,1-6,11-13H2,(H,20,24)(H,21,23,25)
• InChIKey: YFULHVMOHXJBOK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[3-(cyclohexyloxy)propyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide
• IUPAC传统名: N-[3-(cyclohexyloxy)propyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide
• 别名: N-[3-(cyclohexyloxy)propyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide

理论计算性质

JChem

• Acid pKa: 9.064496
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 1.3178679
• LogD (pH = 7.4): 1.3087893
• Log P: 1.3179852
• 摩尔折射率: 96.6186 cm^3
• 极化性: 36.942856 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: 1.53
• LOG S: -3.13
• 极化表面积: 87.74 Å^2
• 可自由旋转的化学键: 7