2-{7,9-dioxo-8-azaspiro[4.5]decan-8-yl}-N-(1-phenylethyl)acetamide

• ChemBase编号: 377832
• 分子式: C19H24N2O3
• 平均质量: 328.40546
• 单一同位素质量: 328.17869264
• SMILES: N1(C(=O)CC2(CC1=O)CCCC2)CC(=O)NC(c1ccccc1)C
• Canonical SMILES: CC(c1ccccc1)NC(=O)CN1C(=O)CC2(CC1=O)CCCC2
• InChI: InChI=1S/C19H24N2O3/c1-14(15-7-3-2-4-8-15)20-16(22)13-21-17(23)11-19(12-18(21)24)9-5-6-10-19/h2-4,7-8,14H,5-6,9-13H2,1H3,(H,20,22)
• InChIKey: SIBKDSPKGDWTSN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{7,9-dioxo-8-azaspiro[4.5]decan-8-yl}-N-(1-phenylethyl)acetamide
• IUPAC传统名: 2-{7,9-dioxo-8-azaspiro[4.5]decan-8-yl}-N-(1-phenylethyl)acetamide
• 别名: 2-(7,9-dioxo-8-azaspiro[4.5]dec-8-yl)-N-(1-phenylethyl)acetamide

理论计算性质

JChem

• Acid pKa: 14.313092
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.7230157
• LogD (pH = 7.4): 1.7230157
• Log P: 1.7230157
• 摩尔折射率: 90.0375 cm^3
• 极化性: 35.30425 Å^3
• 极化表面积: 66.48 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 2.97
• LOG S: -4.13
• 极化表面积: 66.48 Å^2
• 可自由旋转的化学键: 4