N-(2-ethoxyphenyl)naphthalene-2-carboxamide

• ChemBase ID: 798161
• Molecular Formular: C19H17NO2
• Molecular Mass: 291.34378
• Monoisotopic Mass: 291.12592879
• SMILES: c1cc2c(cc1)ccc(c2)C(=O)Nc1c(cccc1)OCC
• Canonical SMILES: CCOc1ccccc1NC(=O)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C19H17NO2/c1-2-22-18-10-6-5-9-17(18)20-19(21)16-12-11-14-7-3-4-8-15(14)13-16/h3-13H,2H2,1H3,(H,20,21)
• InChIKey: NYJJPJOPGCYXIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethoxyphenyl)naphthalene-2-carboxamide
• IUPAC Traditional name: N-(2-ethoxyphenyl)naphthalene-2-carboxamide
• Synonyms: n-(2-ethoxyphenyl)Naphthalene-2-carboxamide

Database IDs

• CAS Number: 4711-67-5

CALCULATED PROPERTIES

• Acid pKa: 13.474667
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.253744
• LogD (pH = 7.4): 4.2537436
• Log P: 4.253744
• Molar Refractivity: 89.2535 cm^3
• Polarizability: 34.86562 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%