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

• ChemBase ID: 233884
• Molecular Formular: C13H21Cl2N3O2
• Molecular Mass: 322.23074
• Monoisotopic Mass: 321.10108229
• SMILES: N1(c2ccc(NC(=O)CNC)cc2)CCOCC1.Cl.Cl
• Canonical SMILES: CNCC(=O)Nc1ccc(cc1)N1CCOCC1.Cl.Cl
• InChI: InChI=1S/C13H19N3O2.2ClH/c1-14-10-13(17)15-11-2-4-12(5-3-11)16-6-8-18-9-7-16;;/h2-5,14H,6-10H2,1H3,(H,15,17);2*1H
• InChIKey: PNHPYMHVBLIHGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07286200
• PubChem SID: 164289794
• PubChem CID: 18778088

CALCULATED PROPERTIES

• Acid pKa: 14.848063
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.2088125
• LogD (pH = 7.4): -0.5415954
• Log P: 0.60895014
• Molar Refractivity: 72.5584 cm^3
• Polarizability: 27.04553 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.411

Product Information

• Purity: 95%
• Salt Data: 2HCl