N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

• ChemBase ID: 87024
• Molecular Formular: C12H15NO
• Molecular Mass: 189.2536
• Monoisotopic Mass: 189.11536411
• SMILES: N(c1cc2c(cc1)CCCC2)C(=O)C
• Canonical SMILES: CC(=O)Nc1ccc2c(c1)CCCC2
• InChI: InChI=1S/C12H15NO/c1-9(14)13-12-7-6-10-4-2-3-5-11(10)8-12/h6-8H,2-5H2,1H3,(H,13,14)
• InChIKey: QJEVQGGWBHGIBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
• IUPAC Traditional name: N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
• Synonyms: N1-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide

Database IDs

• CAS Number: 50878-03-0
• MDL Number: MFCD00089685
• PubChem SID: 162074140
• PubChem CID: 299693

CALCULATED PROPERTIES

• Acid pKa: 14.712613
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6632104
• LogD (pH = 7.4): 2.6632104
• Log P: 2.6632104
• Molar Refractivity: 58.4032 cm^3
• Polarizability: 21.690289 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true