N-[3-(2,2-dimethyloxan-4-yl)-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]acetamide

• ChemBase编号: 199762
• 分子式: C23H37NO3
• 平均质量: 375.54478
• 单一同位素质量: 375.27734405
• SMILES: N(C(=O)C)(CCC(C1CC(OCC1)(C)C)C(C)C)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN(C(=O)C)CCC(C1CCOC(C1)(C)C)C(C)C
• InChI: InChI=1S/C23H37NO3/c1-17(2)22(20-12-14-27-23(4,5)15-20)11-13-24(18(3)25)16-19-7-9-21(26-6)10-8-19/h7-10,17,20,22H,11-16H2,1-6H3
• InChIKey: SIEFQYYABPFRTB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[3-(2,2-dimethyloxan-4-yl)-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]acetamide
• IUPAC传统名: N-[3-(2,2-dimethyloxan-4-yl)-4-methylpentyl]-N-[(4-methoxyphenyl)methyl]acetamide

登记号

• PubChem SID: 164255672
• PubChem CID: 3607764

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.9325943
• LogD (pH = 7.4): 3.9325945
• Log P: 3.9325945
• 摩尔折射率: 110.6628 cm^3
• 极化性: 43.48273 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 8
• 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