3-amino-4-ethoxy-N,N-dimethylbenzamide

• ChemBase ID: 235371
• Molecular Formular: C11H16N2O2
• Molecular Mass: 208.25694
• Monoisotopic Mass: 208.12117776
• SMILES: C(=O)(c1cc(c(cc1)OCC)N)N(C)C
• Canonical SMILES: CCOc1ccc(cc1N)C(=O)N(C)C
• InChI: InChI=1S/C11H16N2O2/c1-4-15-10-6-5-8(7-9(10)12)11(14)13(2)3/h5-7H,4,12H2,1-3H3
• InChIKey: PZUNHAQIWULEDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-4-ethoxy-N,N-dimethylbenzamide
• IUPAC Traditional name: 3-amino-4-ethoxy-N,N-dimethylbenzamide
• Synonyms: 3-amino-4-ethoxy-N,N-dimethylbenzamide

Database IDs

• MDL Number: MFCD11695218
• PubChem SID: 164291281
• PubChem CID: 28689891

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6389989
• LogD (pH = 7.4): 0.64141804
• Log P: 0.641449
• Molar Refractivity: 60.842 cm^3
• Polarizability: 22.347094 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127 - 129°C
• Hydrophobicity(logP): 0.668

Product Information

• Purity: 95%