2-(4-methoxyphenyl)-2-(morpholin-4-yl)acetamide

• ChemBase ID: 239940
• Molecular Formular: C13H18N2O3
• Molecular Mass: 250.29362
• Monoisotopic Mass: 250.13174245
• SMILES: N1(C(C(=O)N)c2ccc(cc2)OC)CCOCC1
• Canonical SMILES: COc1ccc(cc1)C(C(=O)N)N1CCOCC1
• InChI: InChI=1S/C13H18N2O3/c1-17-11-4-2-10(3-5-11)12(13(14)16)15-6-8-18-9-7-15/h2-5,12H,6-9H2,1H3,(H2,14,16)
• InChIKey: UWDSSTLGCJFDOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)-2-(morpholin-4-yl)acetamide
• IUPAC Traditional name: 2-(4-methoxyphenyl)-2-(morpholin-4-yl)acetamide
• Synonyms: 2-(4-methoxyphenyl)-2-(morpholin-4-yl)acetamide

Database IDs

• MDL Number: MFCD00023367
• PubChem SID: 164295850
• PubChem CID: 99003

CALCULATED PROPERTIES

• Polar Surface Area: 64.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 15.748021
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.26203793
• LogD (pH = 7.4): 0.4190492
• Log P: 0.42146784
• Molar Refractivity: 67.7905 cm^3
• Polarizability: 26.597597 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.521

Product Information

• Purity: 95%