5-amino-2-(dimethylamino)-N-methylbenzamide

• ChemBase ID: 120858
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: c1(c(ccc(c1)N)N(C)C)C(=O)NC
• Canonical SMILES: CNC(=O)c1cc(N)ccc1N(C)C
• InChI: InChI=1S/C10H15N3O/c1-12-10(14)8-6-7(11)4-5-9(8)13(2)3/h4-6H,11H2,1-3H3,(H,12,14)
• InChIKey: RQRUZRFAZRDIDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-2-(dimethylamino)-N-methylbenzamide
• IUPAC Traditional name: 5-amino-2-(dimethylamino)-N-methylbenzamide
• Synonyms: 5-amino-2-(dimethylamino)-N-methylbenzamide

Database IDs

• PubChem SID: 162215211
• PubChem CID: 56828851

CALCULATED PROPERTIES

• Acid pKa: 15.325269
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.22280753
• LogD (pH = 7.4): 0.32520348
• Log P: 0.3266801
• Molar Refractivity: 59.1621 cm^3
• Polarizability: 20.964666 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true