N-(2-butyl-3-propylquinolin-4-yl)hexadecanamide

• ChemBase ID: 180811
• Molecular Formular: C32H52N2O
• Molecular Mass: 480.76808
• Monoisotopic Mass: 480.40796429
• SMILES: c1(c(c(nc2c1cccc2)CCCC)CCC)NC(=O)CCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)Nc1c(CCC)c(CCCC)nc2c1cccc2
• InChI: InChI=1S/C32H52N2O/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-26-31(35)34-32-27(22-6-3)29(24-8-5-2)33-30-25-21-20-23-28(30)32/h20-21,23,25H,4-19,22,24,26H2,1-3H3,(H,33,34,35)
• InChIKey: OSAZILCXHYXTNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-butyl-3-propylquinolin-4-yl)hexadecanamide
• IUPAC Traditional name: N-(2-butyl-3-propylquinolin-4-yl)hexadecanamide

Database IDs

• PubChem SID: 164236721
• PubChem CID: 3102839

CALCULATED PROPERTIES

• Acid pKa: 13.230315
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 10.457261
• LogD (pH = 7.4): 10.959446
• Log P: 10.972141
• Molar Refractivity: 151.9458 cm^3
• Polarizability: 60.466217 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds