N-[(3,4-dimethoxyphenyl)methyl]-N-{3-phenyl-3-[4-(propan-2-yloxy)phenyl]propyl}acetamide

• ChemBase编号: 191219
• 分子式: C29H35NO4
• 平均质量: 461.5925
• 单一同位素质量: 461.25660861
• SMILES: N(C(=O)C)(Cc1cc(c(cc1)OC)OC)CCC(c1ccc(OC(C)C)cc1)c1ccccc1
• Canonical SMILES: COc1cc(ccc1OC)CN(C(=O)C)CCC(c1ccc(cc1)OC(C)C)c1ccccc1
• InChI: InChI=1S/C29H35NO4/c1-21(2)34-26-14-12-25(13-15-26)27(24-9-7-6-8-10-24)17-18-30(22(3)31)20-23-11-16-28(32-4)29(19-23)33-5/h6-16,19,21,27H,17-18,20H2,1-5H3
• InChIKey: JCCHFXAYWUOLDW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(3,4-dimethoxyphenyl)methyl]-N-{3-phenyl-3-[4-(propan-2-yloxy)phenyl]propyl}acetamide
• IUPAC传统名: N-[(3,4-dimethoxyphenyl)methyl]-N-[3-(4-isopropoxyphenyl)-3-phenylpropyl]acetamide

登记号

• PubChem SID: 164247129
• PubChem CID: 2946541

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.3204317
• LogD (pH = 7.4): 5.320432
• Log P: 5.320432
• 摩尔折射率: 136.0411 cm^3
• 极化性: 53.01872 Å^3
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 11
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds