N-ethyl-2-(1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-{[2-(prop-2-en-1-yloxy)phenyl]methyl}acetamide

• ChemBase ID: 723280
• Molecular Formular: C23H26N2O3
• Molecular Mass: 378.46414
• Monoisotopic Mass: 378.1943427
• SMILES: C1(=O)N(c2c(C1CC(=O)N(Cc1c(OCC=C)cccc1)CC)cccc2)C
• Canonical SMILES: C=CCOc1ccccc1CN(C(=O)CC1c2ccccc2N(C1=O)C)CC
• InChI: InChI=1S/C23H26N2O3/c1-4-14-28-21-13-9-6-10-17(21)16-25(5-2)22(26)15-19-18-11-7-8-12-20(18)24(3)23(19)27/h4,6-13,19H,1,5,14-16H2,2-3H3
• InChIKey: ZLTFGZQSKDQQCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-(1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-N-{[2-(prop-2-en-1-yloxy)phenyl]methyl}acetamide
• IUPAC Traditional name: N-ethyl-2-(1-methyl-2-oxo-3H-indol-3-yl)-N-{[2-(prop-2-en-1-yloxy)phenyl]methyl}acetamide
• Synonyms: N-[2-(allyloxy)benzyl]-N-ethyl-2-(1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.8001175
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8986986
• LogD (pH = 7.4): 2.898697
• Log P: 2.8986986
• Molar Refractivity: 110.1444 cm^3
• Polarizability: 42.283386 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.66
• LOG S: -5.09
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 8