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

• ChemBase ID: 122745
• Molecular Formular: C15H22ClN3O3
• Molecular Mass: 327.80648
• Monoisotopic Mass: 327.13496926
• SMILES: c1(c(NC(=O)C)cccc1)C(=O)NCCN1CCOCC1.Cl
• Canonical SMILES: CC(=O)Nc1ccccc1C(=O)NCCN1CCOCC1.Cl
• InChI: InChI=1S/C15H21N3O3.ClH/c1-12(19)17-14-5-3-2-4-13(14)15(20)16-6-7-18-8-10-21-11-9-18;/h2-5H,6-11H2,1H3,(H,16,20)(H,17,19);1H
• InChIKey: NNHOXONMYDEFKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-acetamido-N-[2-(morpholin-4-yl)ethyl]benzamide hydrochloride
• IUPAC Traditional name: 2-acetamido-N-[2-(morpholin-4-yl)ethyl]benzamide hydrochloride
• Synonyms: 2-acetamido-N-(2-morpholinoethyl)benzamide hydrochloride

Database IDs

• PubChem SID: 162217098
• PubChem CID: 51051875

CALCULATED PROPERTIES

• H Donor: 2
• LogD (pH = 5.5): 0.13786732
• LogD (pH = 7.4): 0.7195181
• Log P: 0.7354166
• Molar Refractivity: 81.9897 cm^3
• Polarizability: 30.599512 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 12.769678
• H Acceptors: 4

PROPERTIES

Product Information

• Salt Data: HCl