5-{[8-(2-methoxyethyl)-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl]methyl}-N,N-dimethylfuran-2-carboxamide

• ChemBase编号: 744727
• 分子式: C20H31N3O4
• 平均质量: 377.47784
• 单一同位素质量: 377.23145649
• SMILES: c1(C(=O)N(C)C)oc(cc1)CN1CC2(CN(C(=O)CC2)CCOC)CCC1
• Canonical SMILES: COCCN1CC2(CCCN(C2)Cc2ccc(o2)C(=O)N(C)C)CCC1=O
• InChI: InChI=1S/C20H31N3O4/c1-21(2)19(25)17-6-5-16(27-17)13-22-10-4-8-20(14-22)9-7-18(24)23(15-20)11-12-26-3/h5-6H,4,7-15H2,1-3H3
• InChIKey: FOWIEAZHRWMRQL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-{[8-(2-methoxyethyl)-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl]methyl}-N,N-dimethylfuran-2-carboxamide
• IUPAC传统名: 5-{[8-(2-methoxyethyl)-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl]methyl}-N,N-dimethylfuran-2-carboxamide
• 别名: 5-{[8-(2-methoxyethyl)-9-oxo-2,8-diazaspiro[5.5]undec-2-yl]methyl}-N,N-dimethyl-2-furamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -2.0496206
• LogD (pH = 7.4): -0.32902896
• Log P: 0.18635806
• 摩尔折射率: 103.7925 cm^3
• 极化性: 39.65889 Å^3
• 极化表面积: 66.23 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: 5
• 质子供体: 0
• Log P: 0.28
• LOG S: -3.5
• 极化表面积: 66.23 Å^2
• 可自由旋转的化学键: 6