N-{1-[3-(2-ethylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-methyl-1-oxopropan-2-yl}acetamide

• ChemBase编号: 341841
• 分子式: C19H33N3O4
• 平均质量: 367.48302
• 单一同位素质量: 367.24710655
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)C(NC(=O)C)(C)C)CC2)CC(CC)CC
• Canonical SMILES: CCC(CN1CC2(OC1=O)CCN(CC2)C(=O)C(NC(=O)C)(C)C)CC
• InChI: InChI=1S/C19H33N3O4/c1-6-15(7-2)12-22-13-19(26-17(22)25)8-10-21(11-9-19)16(24)18(4,5)20-14(3)23/h15H,6-13H2,1-5H3,(H,20,23)
• InChIKey: GJZDWNSUGOQIJU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{1-[3-(2-ethylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-methyl-1-oxopropan-2-yl}acetamide
• IUPAC传统名: N-{1-[3-(2-ethylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]-2-methyl-1-oxopropan-2-yl}acetamide
• 别名: N-{2-[3-(2-ethylbutyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]dec-8-yl]-1,1-dimethyl-2-oxoethyl}acetamide

理论计算性质

JChem

• Acid pKa: 12.517238
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.0719866
• LogD (pH = 7.4): 1.0719836
• Log P: 1.0719866
• 摩尔折射率: 98.4827 cm^3
• 极化性: 38.628532 Å^3
• 极化表面积: 78.95 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: 1
• Log P: 2.4
• LOG S: -3.93
• 极化表面积: 78.95 Å^2
• 可自由旋转的化学键: 6