N-ethyl-N-(2-hydroxy-5-methylphenyl)propanamide

• ChemBase编号: 312007
• 分子式: C12H17NO2
• 平均质量: 207.26888
• 单一同位素质量: 207.12592879
• SMILES: c1(N(C(=O)CC)CC)c(ccc(c1)C)O
• Canonical SMILES: CCN(c1cc(C)ccc1O)C(=O)CC
• InChI: InChI=1S/C12H17NO2/c1-4-12(15)13(5-2)10-8-9(3)6-7-11(10)14/h6-8,14H,4-5H2,1-3H3
• InChIKey: LZFDEDDBBLIKRU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-N-(2-hydroxy-5-methylphenyl)propanamide
• IUPAC传统名: N-ethyl-N-(2-hydroxy-5-methylphenyl)propanamide
• 别名: N-ethyl-N-(2-hydroxy-5-methylphenyl)propanamide

登记号

• CAS号: 909361-84-8
• MDL号: MFCD08583148

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.3421078
• LogD (pH = 7.4): 2.333241
• Log P: 2.3422222
• 摩尔折射率: 60.4345 cm^3
• 极化性: 23.098186 Å^3
• 极化表面积: 40.54 Å^2