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

• ChemBase ID: 577474
• Molecular Formular: C19H28N2O2
• Molecular Mass: 316.43782
• Monoisotopic Mass: 316.21507815
• SMILES: c12c(n(c(c1CC(=O)NC1CC1)C)CCC)CC(CC2=O)(C)C
• Canonical SMILES: CCCn1c(C)c(c2c1CC(C)(C)CC2=O)CC(=O)NC1CC1
• InChI: InChI=1S/C19H28N2O2/c1-5-8-21-12(2)14(9-17(23)20-13-6-7-13)18-15(21)10-19(3,4)11-16(18)22/h13H,5-11H2,1-4H3,(H,20,23)
• InChIKey: UHPXZPDBCDKQBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.713333
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5347826
• LogD (pH = 7.4): 2.5347826
• Log P: 2.5347826
• Molar Refractivity: 92.6974 cm^3
• Polarizability: 35.30154 Å^3
• Polar Surface Area: 51.1 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.83
• LOG S: -5.06
• Polar Surface Area: 51.1 Å^2
• Rotatable Bonds: 3