3-amino-N-(2-methoxyethyl)-2-methylbenzamide

• ChemBase ID: 308259
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: c1(C(=O)NCCOC)c(c(N)ccc1)C
• Canonical SMILES: Cc1c(cccc1N)C(=O)NCCOC
• InChI: InChI=1S/C11H16N2O2/c1-8-9(4-3-5-10(8)12)11(14)13-6-7-15-2/h3-5H,6-7,12H2,1-2H3,(H,13,14)
• InChIKey: PLAZZRAIFGPTRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-N-(2-methoxyethyl)-2-methylbenzamide
• IUPAC Traditional name: 3-amino-N-(2-methoxyethyl)-2-methylbenzamide
• Synonyms: 3-amino-N-(2-methoxyethyl)-2-methylbenzamide

Database IDs

• CAS Number: 926222-63-1
• MDL Number: MFCD09047773

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.68266094
• LogD (pH = 7.4): 0.68505156
• Log P: 0.6850821
• Molar Refractivity: 60.8182 cm^3
• Polarizability: 22.288036 Å^3
• Polar Surface Area: 64.35 Å^2