N-methoxy-N-methylnaphthalene-2-carboxamide

• ChemBase ID: 241020
• Molecular Formular: C13H13NO2
• Molecular Mass: 215.24782
• Monoisotopic Mass: 215.09462866
• SMILES: C(=O)(c1cc2c(cc1)cccc2)N(OC)C
• Canonical SMILES: CON(C(=O)c1ccc2c(c1)cccc2)C
• InChI: InChI=1S/C13H13NO2/c1-14(16-2)13(15)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3
• InChIKey: YSNHBNFKJLVKGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methoxy-N-methylnaphthalene-2-carboxamide
• IUPAC Traditional name: N-methoxy-N-methylnaphthalene-2-carboxamide
• Synonyms: N-methoxy-N-methylnaphthalene-2-carboxamide

Database IDs

• MDL Number: MFCD00969010
• PubChem SID: 164296930
• PubChem CID: 3850908

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.411818
• LogD (pH = 7.4): 2.411818
• Log P: 2.411818
• Molar Refractivity: 62.7302 cm^3
• Polarizability: 25.055052 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.823

Product Information

• Purity: 95%