N-methyl-3-(morpholin-4-yl)propanamide

• ChemBase ID: 60420
• Molecular Formular: C8H16N2O2
• Molecular Mass: 172.22484
• Monoisotopic Mass: 172.12117776
• SMILES: C(=O)(CCN1CCOCC1)NC
• Canonical SMILES: CNC(=O)CCN1CCOCC1
• InChI: InChI=1S/C8H16N2O2/c1-9-8(11)2-3-10-4-6-12-7-5-10/h2-7H2,1H3,(H,9,11)
• InChIKey: PPDBBEIMLYUYOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(morpholin-4-yl)propanamide
• IUPAC Traditional name: N-methyl-3-(morpholin-4-yl)propanamide
• Synonyms: N-Methyl-3-morpholin-4-ylpropanamide

Database IDs

• MDL Number: MFCD19103382
• PubChem SID: 162026161
• PubChem CID: 21035093

CALCULATED PROPERTIES

• Acid pKa: 16.110245
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7776923
• LogD (pH = 7.4): -1.1904962
• Log P: -0.8966015
• Molar Refractivity: 46.5655 cm^3
• Polarizability: 18.182564 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false