N-[4-(dimethylamino)phenyl]-2-(methylamino)acetamide dihydrochloride

• ChemBase ID: 124499
• Molecular Formular: C11H19Cl2N3O
• Molecular Mass: 280.19406
• Monoisotopic Mass: 279.0905176
• SMILES: C(=O)(Nc1ccc(N(C)C)cc1)CNC.Cl.Cl
• Canonical SMILES: CNCC(=O)Nc1ccc(cc1)N(C)C.Cl.Cl
• InChI: InChI=1S/C11H17N3O.2ClH/c1-12-8-11(15)13-9-4-6-10(7-5-9)14(2)3;;/h4-7,12H,8H2,1-3H3,(H,13,15);2*1H
• InChIKey: HEGHVKDLOBJDRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(dimethylamino)phenyl]-2-(methylamino)acetamide dihydrochloride
• IUPAC Traditional name: N-[4-(dimethylamino)phenyl]-2-(methylamino)acetamide dihydrochloride
• Synonyms: N-(4-(dimethylamino)phenyl)-2-(methylamino)acetamide dihydrochloride

Database IDs

• PubChem SID: 162218852
• PubChem CID: 51052003

CALCULATED PROPERTIES

• Acid pKa: 14.888877
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.0361407
• LogD (pH = 7.4): -0.32485205
• Log P: 0.8274506
• Molar Refractivity: 63.4839 cm^3
• Polarizability: 23.395706 Å^3
• Polar Surface Area: 44.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl