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

• ChemBase ID: 308196
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: C(=O)(c1cc(c(cc1)N)C)NCCOC
• Canonical SMILES: COCCNC(=O)c1ccc(c(c1)C)N
• InChI: InChI=1S/C11H16N2O2/c1-8-7-9(3-4-10(8)12)11(14)13-5-6-15-2/h3-4,7H,5-6,12H2,1-2H3,(H,13,14)
• InChIKey: WNAHKGNLMYGFER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-(2-methoxyethyl)-3-methylbenzamide
• IUPAC Traditional name: 4-amino-N-(2-methoxyethyl)-3-methylbenzamide
• Synonyms: 4-amino-N-(2-methoxyethyl)-3-methylbenzamide

Database IDs

• CAS Number: 926190-47-8
• MDL Number: MFCD09046419

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6829838
• LogD (pH = 7.4): 0.6850556
• Log P: 0.6850821
• Molar Refractivity: 60.8182 cm^3
• Polarizability: 22.286404 Å^3
• Polar Surface Area: 64.35 Å^2