N-[(3,4-dimethoxyphenyl)methyl]-N-{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}acetamide

• ChemBase编号: 202437
• 分子式: C25H41NO4
• 平均质量: 419.59734
• 单一同位素质量: 419.3035588
• SMILES: N(C(=O)C)(Cc1cc(c(cc1)OC)OC)CCC1(CC(OCC1)(C)C)CCC(C)C
• Canonical SMILES: COc1cc(ccc1OC)CN(C(=O)C)CCC1(CCOC(C1)(C)C)CCC(C)C
• InChI: InChI=1S/C25H41NO4/c1-19(2)10-11-25(13-15-30-24(4,5)18-25)12-14-26(20(3)27)17-21-8-9-22(28-6)23(16-21)29-7/h8-9,16,19H,10-15,17-18H2,1-7H3
• InChIKey: IPJPDPQLCHANHD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(3,4-dimethoxyphenyl)methyl]-N-{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}acetamide
• IUPAC传统名: N-[(3,4-dimethoxyphenyl)methyl]-N-{2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl}acetamide

登记号

• PubChem SID: 164258347
• PubChem CID: 3648528

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 4.2325196
• LogD (pH = 7.4): 4.23252
• Log P: 4.23252
• 摩尔折射率: 121.6535 cm^3
• 极化性: 47.83914 Å^3
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 10
• 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