5-amino-2-methoxy-N,N-dimethylbenzamide

• ChemBase ID: 123921
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: c1(C(=O)N(C)C)c(ccc(c1)N)OC
• Canonical SMILES: COc1ccc(cc1C(=O)N(C)C)N
• InChI: InChI=1S/C10H14N2O2/c1-12(2)10(13)8-6-7(11)4-5-9(8)14-3/h4-6H,11H2,1-3H3
• InChIKey: AJVBTKWDYGBNGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 22802-73-9
• MDL Number: MFCD11505339
• PubChem SID: 162218274
• PubChem CID: 28690088

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.2693015
• LogD (pH = 7.4): 0.28444445
• Log P: 0.28464103
• Molar Refractivity: 56.0934 cm^3
• Polarizability: 20.510595 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true