4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrochloride

• ChemBase ID: 241146
• Molecular Formular: C14H24ClN3O2
• Molecular Mass: 301.81226
• Monoisotopic Mass: 301.1557047
• SMILES: c1(c(cc(cc1)N)OC)C(=O)NCCN(CC)CC.Cl
• Canonical SMILES: CCN(CCNC(=O)c1ccc(cc1OC)N)CC.Cl
• InChI: InChI=1S/C14H23N3O2.ClH/c1-4-17(5-2)9-8-16-14(18)12-7-6-11(15)10-13(12)19-3;/h6-7,10H,4-5,8-9,15H2,1-3H3,(H,16,18);1H
• InChIKey: VGNHJMIVFSGASY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrochloride
• IUPAC Traditional name: 4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrochloride
• Synonyms: 4-amino-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrochloride

Database IDs

• MDL Number: MFCD22421822
• PubChem SID: 164297056
• PubChem CID: 71756721

CALCULATED PROPERTIES

• Acid pKa: 14.9003105
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.4296837
• LogD (pH = 7.4): -0.85488576
• Log P: 0.7932254
• Molar Refractivity: 78.713 cm^3
• Polarizability: 29.39449 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.416

Product Information

• Purity: 95%