3-amino-4-(dimethylamino)-N,N-dimethylbenzamide

• ChemBase ID: 123609
• Molecular Formular: C11H17N3O
• Molecular Mass: 207.27218
• Monoisotopic Mass: 207.13716218
• SMILES: C(=O)(c1cc(c(cc1)N(C)C)N)N(C)C
• Canonical SMILES: O=C(c1ccc(c(c1)N)N(C)C)N(C)C
• InChI: InChI=1S/C11H17N3O/c1-13(2)10-6-5-8(7-9(10)12)11(15)14(3)4/h5-7H,12H2,1-4H3
• InChIKey: IVLNYAQKPQDFNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-4-(dimethylamino)-N,N-dimethylbenzamide
• IUPAC Traditional name: 3-amino-4-(dimethylamino)-N,N-dimethylbenzamide
• Synonyms: 3-amino-4-(dimethylamino)-N,N-dimethylbenzamide

Database IDs

• PubChem SID: 162217962
• PubChem CID: 45490947

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.54735774
• LogD (pH = 7.4): 0.55031824
• Log P: 0.55035615
• Molar Refractivity: 64.0588 cm^3
• Polarizability: 22.803808 Å^3
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true