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

• ChemBase ID: 256362
• Molecular Formular: C11H16N2O3
• Molecular Mass: 224.25634
• Monoisotopic Mass: 224.11609238
• SMILES: c1(C(=O)N(C)C)c(cc(c(c1)OC)OC)N
• Canonical SMILES: COc1cc(c(cc1OC)N)C(=O)N(C)C
• InChI: InChI=1S/C11H16N2O3/c1-13(2)11(14)7-5-9(15-3)10(16-4)6-8(7)12/h5-6H,12H2,1-4H3
• InChIKey: LAPRYYNMJHYFOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09734806
• PubChem SID: 164312272
• PubChem CID: 16788036

CALCULATED PROPERTIES

• Polar Surface Area: 64.79 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.7753296
• LogD (pH = 7.4): 0.77694905
• Log P: 0.77696973
• Molar Refractivity: 62.5566 cm^3
• Polarizability: 23.049408 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.601

Product Information

• Purity: 95%