5,5-dimethyl-1-(2-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-2-oxoethyl)imidazolidine-2,4-dione

• ChemBase编号: 762600
• 分子式: C16H24N4O4
• 平均质量: 336.38616
• 单一同位素质量: 336.17975527
• SMILES: N1(C(=O)NC(=O)C1(C)C)CC(=O)N1CC2(C(=O)N(CCC2)C)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C)CN1C(=O)NC(=O)C1(C)C
• InChI: InChI=1S/C16H24N4O4/c1-15(2)12(22)17-14(24)20(15)9-11(21)19-8-6-16(10-19)5-4-7-18(3)13(16)23/h4-10H2,1-3H3,(H,17,22,24)
• InChIKey: JGOVSYDHGNIUBX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5,5-dimethyl-1-(2-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-2-oxoethyl)imidazolidine-2,4-dione
• IUPAC传统名: 5,5-dimethyl-1-(2-{7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-2-oxoethyl)imidazolidine-2,4-dione
• 别名: 5,5-dimethyl-1-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)-2-oxoethyl]imidazolidine-2,4-dione

理论计算性质

JChem

• Acid pKa: 10.144607
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -1.1547223
• LogD (pH = 7.4): -1.1554847
• Log P: -1.1547124
• 摩尔折射率: 85.4631 cm^3
• 极化性: 32.97312 Å^3
• 极化表面积: 90.03 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: -0.41
• LOG S: -2.61
• 极化表面积: 90.03 Å^2
• 可自由旋转的化学键: 2