N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide

• ChemBase ID: 246258
• Molecular Formular: C12H16N2O
• Molecular Mass: 204.26824
• Monoisotopic Mass: 204.12626314
• SMILES: c12c(NCCC2)c(ccc1NC(=O)C)C
• Canonical SMILES: CC(=O)Nc1ccc(c2c1CCCN2)C
• InChI: InChI=1S/C12H16N2O/c1-8-5-6-11(14-9(2)15)10-4-3-7-13-12(8)10/h5-6,13H,3-4,7H2,1-2H3,(H,14,15)
• InChIKey: RYRDUZSMONMBBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide
• IUPAC Traditional name: N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide
• Synonyms: N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide

Database IDs

• PubChem SID: 164302168
• PubChem CID: 71757930

CALCULATED PROPERTIES

• Acid pKa: 14.762258
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6347115
• LogD (pH = 7.4): 1.6809896
• Log P: 1.6816128
• Molar Refractivity: 64.0666 cm^3
• Polarizability: 22.827637 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.703

Product Information

• Purity: 95%