N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase编号: 755704
• 分子式: C19H30N4O2
• 平均质量: 346.4671
• 单一同位素质量: 346.23687622
• SMILES: C(=O)(C1N(CC2(C1)CCNCC2)C)N(Cc1cnccc1)CCOC
• Canonical SMILES: COCCN(C(=O)C1CC2(CN1C)CCNCC2)Cc1cccnc1
• InChI: InChI=1S/C19H30N4O2/c1-22-15-19(5-8-20-9-6-19)12-17(22)18(24)23(10-11-25-2)14-16-4-3-7-21-13-16/h3-4,7,13,17,20H,5-6,8-12,14-15H2,1-2H3
• InChIKey: JFKYYKALENMCRG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC传统名: N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
• 别名: N-(2-methoxyethyl)-2-methyl-N-(3-pyridinylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -5.9505186
• LogD (pH = 7.4): -3.6586816
• Log P: -0.010829333
• 摩尔折射率: 98.5737 cm^3
• 极化性: 38.703705 Å^3
• 极化表面积: 57.7 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: 1
• Log P: -0.02
• LOG S: -1.72
• 极化表面积: 57.7 Å^2
• 可自由旋转的化学键: 6