2-acetamido-N-[3-(morpholin-4-yl)propyl]benzamide hydrochloride

• ChemBase ID: 122746
• Molecular Formular: C16H24ClN3O3
• Molecular Mass: 341.83306
• Monoisotopic Mass: 341.15061932
• SMILES: c1(c(NC(=O)C)cccc1)C(=O)NCCCN1CCOCC1.Cl
• Canonical SMILES: CC(=O)Nc1ccccc1C(=O)NCCCN1CCOCC1.Cl
• InChI: InChI=1S/C16H23N3O3.ClH/c1-13(20)18-15-6-3-2-5-14(15)16(21)17-7-4-8-19-9-11-22-12-10-19;/h2-3,5-6H,4,7-12H2,1H3,(H,17,21)(H,18,20);1H
• InChIKey: SKMRPKHPAVPNFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-acetamido-N-[3-(morpholin-4-yl)propyl]benzamide hydrochloride
• IUPAC Traditional name: 2-acetamido-N-[3-(morpholin-4-yl)propyl]benzamide hydrochloride
• Synonyms: 2-acetamido-N-(3-morpholinopropyl)benzamide hydrochloride

Database IDs

• PubChem SID: 162217099
• PubChem CID: 51051876

CALCULATED PROPERTIES

• Acid pKa: 12.770234
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.67551124
• LogD (pH = 7.4): 0.6608996
• Log P: 0.79537636
• Molar Refractivity: 86.8551 cm^3
• Polarizability: 32.4358 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl