2-(dimethyl-1,2-oxazol-4-yl)-N-(6-methylheptan-2-yl)acetamide

• ChemBase编号: 226367
• 分子式: C15H26N2O2
• 平均质量: 266.37914
• 单一同位素质量: 266.19942808
• SMILES: c1(c(onc1C)C)CC(=O)NC(CCCC(C)C)C
• Canonical SMILES: CC(CCCC(NC(=O)Cc1c(C)noc1C)C)C
• InChI: InChI=1S/C15H26N2O2/c1-10(2)7-6-8-11(3)16-15(18)9-14-12(4)17-19-13(14)5/h10-11H,6-9H2,1-5H3,(H,16,18)
• InChIKey: XHRAXLRGZSPDHU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(dimethyl-1,2-oxazol-4-yl)-N-(6-methylheptan-2-yl)acetamide
• IUPAC传统名: 2-(dimethyl-1,2-oxazol-4-yl)-N-(6-methylheptan-2-yl)acetamide

登记号

• PubChem SID: 164282277
• PubChem CID: 71692308

理论计算性质

• Acid pKa: 15.385974
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 2.6397874
• LogD (pH = 7.4): 2.6398344
• Log P: 2.639835
• 摩尔折射率: 77.3107 cm^3
• 极化性: 29.458927 Å^3
• 极化表面积: 55.13 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds