2-amino-4,5-dimethoxy-N-methylbenzamide

• ChemBase ID: 256650
• Molecular Formular: C10H14N2O3
• Molecular Mass: 210.22976
• Monoisotopic Mass: 210.10044232
• SMILES: c1(c(cc(c(c1)OC)OC)N)C(=O)NC
• Canonical SMILES: CNC(=O)c1cc(OC)c(cc1N)OC
• InChI: InChI=1S/C10H14N2O3/c1-12-10(13)6-4-8(14-2)9(15-3)5-7(6)11/h4-5H,11H2,1-3H3,(H,12,13)
• InChIKey: HVAIODZDHYPCPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4,5-dimethoxy-N-methylbenzamide
• IUPAC Traditional name: 2-amino-4,5-dimethoxy-N-methylbenzamide
• Synonyms: 2-amino-4,5-dimethoxy-N-methylbenzamide

Database IDs

• MDL Number: MFCD09044937
• PubChem SID: 164312560
• PubChem CID: 16772617

CALCULATED PROPERTIES

• Acid pKa: 14.96581
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.55169135
• LogD (pH = 7.4): 0.5532735
• Log P: 0.5532937
• Molar Refractivity: 57.6599 cm^3
• Polarizability: 21.217836 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129 - 131°C
• Hydrophobicity(logP): 0.063

Product Information

• Purity: 95%