N-(morpholin-2-ylmethyl)acetamide

• ChemBase ID: 276406
• Molecular Formular: C7H14N2O2
• Molecular Mass: 158.19826
• Monoisotopic Mass: 158.1055277
• SMILES: C(=O)(NCC1OCCNC1)C
• Canonical SMILES: CC(=O)NCC1CNCCO1
• InChI: InChI=1S/C7H14N2O2/c1-6(10)9-5-7-4-8-2-3-11-7/h7-8H,2-5H2,1H3,(H,9,10)
• InChIKey: UGPSGKBXOZVVCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(morpholin-2-ylmethyl)acetamide
• IUPAC Traditional name: N-(morpholin-2-ylmethyl)acetamide
• Synonyms: N-(morpholin-2-ylmethyl)acetamide

Database IDs

• MDL Number: MFCD12144046
• PubChem SID: 164332316
• PubChem CID: 10241064

CALCULATED PROPERTIES

• Acid pKa: 15.884238
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.0311236
• LogD (pH = 7.4): -2.3219461
• Log P: -1.3297491
• Molar Refractivity: 40.8317 cm^3
• Polarizability: 16.35 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.164

Product Information

• Purity: 95%