N-(7-methoxynaphthalen-1-yl)acetamide

• ChemBase ID: 806441
• Molecular Formular: C13H13NO2
• Molecular Mass: 215.24782
• Monoisotopic Mass: 215.09462866
• SMILES: CC(=O)Nc1c2cc(ccc2ccc1)OC
• Canonical SMILES: COc1ccc2c(c1)c(ccc2)NC(=O)C
• InChI: InChI=1S/C13H13NO2/c1-9(15)14-13-5-3-4-10-6-7-11(16-2)8-12(10)13/h3-8H,1-2H3,(H,14,15)
• InChIKey: ROIBKRTYRRRTPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(7-methoxynaphthalen-1-yl)acetamide
• IUPAC Traditional name: N-(7-methoxynaphthalen-1-yl)acetamide
• Synonyms: N-(7-METHOXYNAPHTHALEN-1-YL)ACETAMIDE

Database IDs

• CAS Number: 93189-18-5

CALCULATED PROPERTIES

• Acid pKa: 13.569811
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0427616
• LogD (pH = 7.4): 2.0427613
• Log P: 2.0427616
• Molar Refractivity: 63.8344 cm^3
• Polarizability: 25.252617 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%