N-{2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]ethyl}acetamide

• ChemBase ID: 56010
• Molecular Formular: C14H20N2O2
• Molecular Mass: 248.3208
• Monoisotopic Mass: 248.15247789
• SMILES: N1c2c(CCC1C)cccc2OCCNC(=O)C
• Canonical SMILES: CC1CCc2c(N1)c(OCCNC(=O)C)ccc2
• InChI: InChI=1S/C14H20N2O2/c1-10-6-7-12-4-3-5-13(14(12)16-10)18-9-8-15-11(2)17/h3-5,10,16H,6-9H2,1-2H3,(H,15,17)
• InChIKey: YAPLYUNTJZCMIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]ethyl}acetamide
• IUPAC Traditional name: N-{2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]ethyl}acetamide
• Synonyms: N-{2-[(2-Methyl-1,2,3,4-tetrahydroquinolin-8-yl)-oxy]ethyl}acetamide

Database IDs

• MDL Number: MFCD09763882
• PubChem SID: 162060773
• PubChem CID: 17234044

CALCULATED PROPERTIES

• Acid pKa: 15.8776045
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0214252
• LogD (pH = 7.4): 1.2082564
• Log P: 1.2112477
• Molar Refractivity: 72.438 cm^3
• Polarizability: 27.279346 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false