N-(propan-2-yl)hexadecanamide

• ChemBase编号: 176196
• 分子式: C19H39NO
• 平均质量: 297.51906
• 单一同位素质量: 297.30316487
• SMILES: CCCCCCCCCCCCCCCC(=O)NC(C)C
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)NC(C)C
• InChI: InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)20-18(2)3/h18H,4-17H2,1-3H3,(H,20,21)
• InChIKey: TZYVUGCYYQOTQR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(propan-2-yl)hexadecanamide
• IUPAC传统名: N-isopropylhexadecanamide
• 别名: N-(1-Methylethyl)-hexadecanamide; Palmitoylisopropylamide

登记号

• CAS号: 189939-61-5
• PubChem SID: 164232106
• PubChem CID: 5063962

理论计算性质

• Acid pKa: 16.322838
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 6.446698
• LogD (pH = 7.4): 6.446699
• Log P: 6.446699
• 摩尔折射率: 92.9699 cm^3
• 极化性: 36.964706 Å^3
• 极化表面积: 29.1 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO; Ethanol

详细说明

Toronto Research Chemicals - P158000

An inhibitor of fatty acid amide hydrolase (FAAH). pIC50=4.89 for inhibition of [3H]-anandamide metabolism. Displays little binding to CB1 and CB2 receptors (IC50>100uM) and very weakly blocks ananadamide uptake (IC50~100uM). Inhibits proliferation of C

参考文献

• Jonsson, et al.: Br. J. Pharmacol., 133, 1263 (2000)
• Jonsson, et al.: Arch. Toxicol., 77, 201 (2003)