2-benzamido-N-[3-(dimethylamino)propyl]benzamide hydrochloride

• ChemBase ID: 122684
• Molecular Formular: C19H24ClN3O2
• Molecular Mass: 361.86576
• Monoisotopic Mass: 361.1557047
• SMILES: c1(c(NC(=O)c2ccccc2)cccc1)C(=O)NCCCN(C)C.Cl
• Canonical SMILES: CN(CCCNC(=O)c1ccccc1NC(=O)c1ccccc1)C.Cl
• InChI: InChI=1S/C19H23N3O2.ClH/c1-22(2)14-8-13-20-19(24)16-11-6-7-12-17(16)21-18(23)15-9-4-3-5-10-15;/h3-7,9-12H,8,13-14H2,1-2H3,(H,20,24)(H,21,23);1H
• InChIKey: BZAMXUYQJQFERA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-benzamido-N-[3-(dimethylamino)propyl]benzamide hydrochloride
• IUPAC Traditional name: 2-benzamido-N-[3-(dimethylamino)propyl]benzamide hydrochloride
• Synonyms: 2-benzamido-N-(3-(dimethylamino)propyl)benzamide hydrochloride

Database IDs

• PubChem SID: 162217037
• PubChem CID: 51051871

CALCULATED PROPERTIES

• Acid pKa: 10.585591
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.45564562
• LogD (pH = 7.4): 0.9755764
• Log P: 2.6906683
• Molar Refractivity: 98.4511 cm^3
• Polarizability: 36.50335 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl