N-cyclobutyl-2-[4-(2-methoxypyridine-4-carbonyl)morpholin-3-yl]acetamide

• ChemBase编号: 677602
• 分子式: C17H23N3O4
• 平均质量: 333.38222
• 单一同位素质量: 333.16885623
• SMILES: N1(C(=O)c2cc(ncc2)OC)C(CC(=O)NC2CCC2)COCC1
• Canonical SMILES: COc1nccc(c1)C(=O)N1CCOCC1CC(=O)NC1CCC1
• InChI: InChI=1S/C17H23N3O4/c1-23-16-9-12(5-6-18-16)17(22)20-7-8-24-11-14(20)10-15(21)19-13-3-2-4-13/h5-6,9,13-14H,2-4,7-8,10-11H2,1H3,(H,19,21)
• InChIKey: ZVCMMTMVLOYROT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclobutyl-2-[4-(2-methoxypyridine-4-carbonyl)morpholin-3-yl]acetamide
• IUPAC传统名: N-cyclobutyl-2-[4-(2-methoxypyridine-4-carbonyl)morpholin-3-yl]acetamide
• 别名: N-cyclobutyl-2-[4-(2-methoxyisonicotinoyl)-3-morpholinyl]acetamide

理论计算性质

JChem

• Acid pKa: 14.886093
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 0.3734568
• LogD (pH = 7.4): 0.37348107
• Log P: 0.3734814
• 摩尔折射率: 87.6094 cm^3
• 极化性: 33.709324 Å^3
• 极化表面积: 80.76 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 1
• Log P: -0.26
• LOG S: -2.72
• 极化表面积: 80.76 Å^2
• 可自由旋转的化学键: 5