N-[3-(dimethylamino)propyl]-N-{[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl}acetamide

• ChemBase编号: 183427
• 分子式: C21H38N2O
• 平均质量: 334.53922
• 单一同位素质量: 334.29841385
• SMILES: N(C(=O)C)(CC1C(CC(=CC1)CCC=C(C)C)C)CCCN(C)C
• Canonical SMILES: CN(CCCN(C(=O)C)CC1CC=C(CC1C)CCC=C(C)C)C
• InChI: InChI=1S/C21H38N2O/c1-17(2)9-7-10-20-11-12-21(18(3)15-20)16-23(19(4)24)14-8-13-22(5)6/h9,11,18,21H,7-8,10,12-16H2,1-6H3
• InChIKey: YFSDFXHVCMRUBE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[3-(dimethylamino)propyl]-N-{[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl}acetamide
• IUPAC传统名: N-[3-(dimethylamino)propyl]-N-{[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl}acetamide

登记号

• PubChem SID: 164239337
• PubChem CID: 3435540

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.11439924
• LogD (pH = 7.4): 1.5458432
• Log P: 3.4381244
• 摩尔折射率: 106.6386 cm^3
• 极化性: 40.969044 Å^3
• 极化表面积: 23.55 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

分子性质

产品相关信息

• 简要说明: Stereoisomers
• 分类: Rare Derivatives of Natural Compounds