N-(2-methoxyphenyl)-2,2-dimethylpropanamide

• ChemBase ID: 813119
• Molecular Formular: C12H17NO2
• Molecular Mass: 207.26888
• Monoisotopic Mass: 207.12592879
• SMILES: C(=O)(C(C)(C)C)Nc1c(cccc1)OC
• Canonical SMILES: COc1ccccc1NC(=O)C(C)(C)C
• InChI: InChI=1S/C12H17NO2/c1-12(2,3)11(14)13-9-7-5-6-8-10(9)15-4/h5-8H,1-4H3,(H,13,14)
• InChIKey: DEAXWXKYKLQHPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyphenyl)-2,2-dimethylpropanamide
• IUPAC Traditional name: N-(2-methoxyphenyl)-2,2-dimethylpropanamide
• Synonyms: N-(2-METHOXY-PHENYL)-2,2-DIMETHYL-PROPIONAMIDE

CALCULATED PROPERTIES

• Acid pKa: 12.300711
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8528214
• LogD (pH = 7.4): 2.852816
• Log P: 2.8528214
• Molar Refractivity: 61.0866 cm^3
• Polarizability: 23.248686 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%