N,N-dimethyl-2-{methyl[2-(quinoxalin-2-yloxy)hex-5-en-1-yl]amino}acetamide

• ChemBase编号: 717097
• 分子式: C19H26N4O2
• 平均质量: 342.43534
• 单一同位素质量: 342.20557609
• SMILES: n1c(OC(CN(CC(=O)N(C)C)C)CCC=C)cnc2c1cccc2
• Canonical SMILES: C=CCCC(Oc1cnc2c(n1)cccc2)CN(CC(=O)N(C)C)C
• InChI: InChI=1S/C19H26N4O2/c1-5-6-9-15(13-23(4)14-19(24)22(2)3)25-18-12-20-16-10-7-8-11-17(16)21-18/h5,7-8,10-12,15H,1,6,9,13-14H2,2-4H3
• InChIKey: RCLIRVFPUFCLQU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-2-{methyl[2-(quinoxalin-2-yloxy)hex-5-en-1-yl]amino}acetamide
• IUPAC传统名: N,N-dimethyl-2-{methyl[2-(quinoxalin-2-yloxy)hex-5-en-1-yl]amino}acetamide
• 别名: N,N-dimethyl-2-{methyl[2-(quinoxalin-2-yloxy)hex-5-en-1-yl]amino}acetamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 0.5908353
• LogD (pH = 7.4): 2.1396556
• Log P: 2.3971488
• 摩尔折射率: 98.1353 cm^3
• 极化性: 39.497448 Å^3
• 极化表面积: 58.56 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 3.0
• LOG S: -4.26
• 极化表面积: 58.56 Å^2
• 可自由旋转的化学键: 9