N-methyl-2-(2,6,6-trimethyl-4-oxo-1-propyl-4,5,6,7-tetrahydro-1H-indol-3-yl)acetamide

• ChemBase ID: 493888
• Molecular Formular: C17H26N2O2
• Molecular Mass: 290.40054
• Monoisotopic Mass: 290.19942808
• SMILES: c12c(n(c(c1CC(=O)NC)C)CCC)CC(CC2=O)(C)C
• Canonical SMILES: CCCn1c(C)c(c2c1CC(C)(C)CC2=O)CC(=O)NC
• InChI: InChI=1S/C17H26N2O2/c1-6-7-19-11(2)12(8-15(21)18-5)16-13(19)9-17(3,4)10-14(16)20/h6-10H2,1-5H3,(H,18,21)
• InChIKey: MCTSWFOQHDEJJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(2,6,6-trimethyl-4-oxo-1-propyl-4,5,6,7-tetrahydro-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-methyl-2-(2,6,6-trimethyl-4-oxo-1-propyl-5,7-dihydroindol-3-yl)acetamide
• Synonyms: N-methyl-2-(2,6,6-trimethyl-4-oxo-1-propyl-4,5,6,7-tetrahydro-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.971551
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0692182
• LogD (pH = 7.4): 2.0692182
• Log P: 2.0692182
• Molar Refractivity: 85.4862 cm^3
• Polarizability: 32.34712 Å^3
• Polar Surface Area: 51.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.47
• LOG S: -4.08
• Polar Surface Area: 51.1 Å^2
• Rotatable Bonds: 2