3-hydroxy-N,N-dimethylnaphthalene-2-carboxamide

• ChemBase ID: 311206
• Molecular Formular: C13H13NO2
• Molecular Mass: 215.24782
• Monoisotopic Mass: 215.09462866
• SMILES: c1(C(=O)N(C)C)cc2c(cc1O)cccc2
• Canonical SMILES: CN(C(=O)c1cc2ccccc2cc1O)C
• InChI: InChI=1S/C13H13NO2/c1-14(2)13(16)11-7-9-5-3-4-6-10(9)8-12(11)15/h3-8,15H,1-2H3
• InChIKey: ATDRZFNPPHNGJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxy-N,N-dimethylnaphthalene-2-carboxamide
• IUPAC Traditional name: 3-hydroxy-N,N-dimethylnaphthalene-2-carboxamide
• Synonyms: 3-hydroxy-N,N-dimethyl-2-naphthamide

Database IDs

• CAS Number: 24476-07-1
• MDL Number: MFCD01168920

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6056385
• LogD (pH = 7.4): 2.5011973
• Log P: 2.6071496
• Molar Refractivity: 63.3609 cm^3
• Polarizability: 24.967014 Å^3
• Polar Surface Area: 40.54 Å^2