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

• ChemBase编号: 713634
• 分子式: C18H24N4O3
• 平均质量: 344.40816
• 单一同位素质量: 344.18484065
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCC(N1CCCCC1)c1ccccc1
• Canonical SMILES: O=C(CN1C(=O)CNC1=O)NCC(c1ccccc1)N1CCCCC1
• InChI: InChI=1S/C18H24N4O3/c23-16(13-22-17(24)12-20-18(22)25)19-11-15(14-7-3-1-4-8-14)21-9-5-2-6-10-21/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,19,23)(H,20,25)
• InChIKey: LAVCZQUHMOBLIA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-phenyl-2-(piperidin-1-yl)ethyl]acetamide
• IUPAC传统名: 2-(2,5-dioxoimidazolidin-1-yl)-N-[2-phenyl-2-(piperidin-1-yl)ethyl]acetamide
• 别名: 2-(2,5-dioxoimidazolidin-1-yl)-N-(2-phenyl-2-piperidin-1-ylethyl)acetamide

理论计算性质

JChem

• Acid pKa: 12.034026
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -2.5194893
• LogD (pH = 7.4): -0.7617409
• Log P: 0.3214232
• 摩尔折射率: 93.1902 cm^3
• 极化性: 36.141586 Å^3
• 极化表面积: 81.75 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 2
• Log P: 0.26
• LOG S: -3.24
• 极化表面积: 81.75 Å^2
• 可自由旋转的化学键: 6