2-(ethylamino)-N-[4-(morpholin-4-yl)phenyl]acetamide dihydrochloride

• ChemBase ID: 232586
• Molecular Formular: C14H23Cl2N3O2
• Molecular Mass: 336.25732
• Monoisotopic Mass: 335.11673235
• SMILES: N1(c2ccc(NC(=O)CNCC)cc2)CCOCC1.Cl.Cl
• Canonical SMILES: CCNCC(=O)Nc1ccc(cc1)N1CCOCC1.Cl.Cl
• InChI: InChI=1S/C14H21N3O2.2ClH/c1-2-15-11-14(18)16-12-3-5-13(6-4-12)17-7-9-19-10-8-17;;/h3-6,15H,2,7-11H2,1H3,(H,16,18);2*1H
• InChIKey: WAQDPGVSGMBZFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethylamino)-N-[4-(morpholin-4-yl)phenyl]acetamide dihydrochloride
• IUPAC Traditional name: 2-(ethylamino)-N-[4-(morpholin-4-yl)phenyl]acetamide dihydrochloride
• Synonyms: 2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide dihydrochloride

Database IDs

• MDL Number: MFCD08445319
• PubChem SID: 164288496
• PubChem CID: 20847919

CALCULATED PROPERTIES

• Acid pKa: 14.847574
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.9021215
• LogD (pH = 7.4): -0.2622398
• Log P: 0.9657581
• Molar Refractivity: 77.307 cm^3
• Polarizability: 28.885204 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.94

Product Information

• Purity: 95%
• Salt Data: 2HCl