N-(2,2-dimethylpropyl)-2-hydroxybenzamide

• ChemBase ID: 312006
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: c1(C(=O)NCC(C)(C)C)c(O)cccc1
• Canonical SMILES: O=C(c1ccccc1O)NCC(C)(C)C
• InChI: InChI=1S/C12H17NO2/c1-12(2,3)8-13-11(15)9-6-4-5-7-10(9)14/h4-7,14H,8H2,1-3H3,(H,13,15)
• InChIKey: WUMQTTSAODFXFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2-dimethylpropyl)-2-hydroxybenzamide
• IUPAC Traditional name: N-(2,2-dimethylpropyl)-2-hydroxybenzamide
• Synonyms: N-(2,2-dimethylpropyl)-2-hydroxybenzamide

Database IDs

• CAS Number: 694450-22-1
• MDL Number: MFCD04211607

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.015428
• LogD (pH = 7.4): 2.9519868
• Log P: 3.016301
• Molar Refractivity: 60.1563 cm^3
• Polarizability: 22.971113 Å^3
• Polar Surface Area: 49.33 Å^2