N-[2-(diethylamino)ethyl]-4-ethoxybenzamide hydrochloride

• ChemBase ID: 148073
• Molecular Formular: C15H25ClN2O2
• Molecular Mass: 300.8242
• Monoisotopic Mass: 300.16045573
• SMILES: CCN(CC)CCNC(=O)c1ccc(cc1)OCC.Cl
• Canonical SMILES: CCOc1ccc(cc1)C(=O)NCCN(CC)CC.Cl
• InChI: InChI=1S/C15H24N2O2.ClH/c1-4-17(5-2)12-11-16-15(18)13-7-9-14(10-8-13)19-6-3;/h7-10H,4-6,11-12H2,1-3H3,(H,16,18);1H
• InChIKey: DBBNMTPWROZAFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(diethylamino)ethyl]-4-ethoxybenzamide hydrochloride
• IUPAC Traditional name: N-[2-(diethylamino)ethyl]-4-ethoxybenzamide hydrochloride
• Synonyms: N-[2-(Diethylamino)ethyl]-4-ethoxybenzamide hydrochloride; N-[2-(二乙基氨基)乙基]-4-乙氧基苯甲酰胺 盐酸盐

Database IDs

• CAS Number: 81029-00-7
• MDL Number: MFCD00012504
• PubChem SID: 162242251
• PubChem CID: 216382

CALCULATED PROPERTIES

• Polarizability: 30.09287 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• Acid pKa: 15.054228
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2424743
• LogD (pH = 7.4): 0.33086628
• Log P: 1.9789593
• Molar Refractivity: 78.7612 cm^3

PROPERTIES

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C15H24N2O2 · HCl