5-amino-2-(dimethylamino)-N-[2-(dimethylamino)ethyl]benzamide

• ChemBase ID: 121255
• Molecular Formular: C13H22N4O
• Molecular Mass: 250.33998
• Monoisotopic Mass: 250.17936134
• SMILES: c1(c(ccc(c1)N)N(C)C)C(=O)NCCN(C)C
• Canonical SMILES: CN(CCNC(=O)c1cc(N)ccc1N(C)C)C
• InChI: InChI=1S/C13H22N4O/c1-16(2)8-7-15-13(18)11-9-10(14)5-6-12(11)17(3)4/h5-6,9H,7-8,14H2,1-4H3,(H,15,18)
• InChIKey: GVLYULGDEWYJCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-2-(dimethylamino)-N-[2-(dimethylamino)ethyl]benzamide
• IUPAC Traditional name: 5-amino-2-(dimethylamino)-N-[2-(dimethylamino)ethyl]benzamide
• Synonyms: 5-amino-2-(dimethylamino)-N-(2-(dimethylamino)ethyl)benzamide

Database IDs

• PubChem SID: 162215608
• PubChem CID: 60177107

CALCULATED PROPERTIES

• Acid pKa: 15.395093
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.6543698
• LogD (pH = 7.4): -0.7954838
• Log P: 0.3453246
• Molar Refractivity: 77.1812 cm^3
• Polarizability: 28.013536 Å^3
• Polar Surface Area: 61.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true