N-(4-amino-2-methoxyphenyl)-2,2-dimethylpropanamide

• ChemBase ID: 307744
• Molecular Formular: C12H18N2O2
• Molecular Mass: 222.28352
• Monoisotopic Mass: 222.13682783
• SMILES: C(=O)(Nc1c(cc(N)cc1)OC)C(C)(C)C
• Canonical SMILES: COc1cc(N)ccc1NC(=O)C(C)(C)C
• InChI: InChI=1S/C12H18N2O2/c1-12(2,3)11(15)14-9-6-5-8(13)7-10(9)16-4/h5-7H,13H2,1-4H3,(H,14,15)
• InChIKey: HLSNWZDYAAXRDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-amino-2-methoxyphenyl)-2,2-dimethylpropanamide
• IUPAC Traditional name: N-(4-amino-2-methoxyphenyl)-2,2-dimethylpropanamide
• Synonyms: N-(4-amino-2-methoxyphenyl)-2,2-dimethylpropanamide

Database IDs

• CAS Number: 108792-09-2
• MDL Number: MFCD03906878

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0164256
• LogD (pH = 7.4): 2.0238
• Log P: 2.0238955
• Molar Refractivity: 65.787 cm^3
• Polarizability: 24.390314 Å^3
• Polar Surface Area: 64.35 Å^2