N-ethyl-3-[(2-methoxyethyl)amino]propanamide

• ChemBase ID: 24483
• Molecular Formular: C8H18N2O2
• Molecular Mass: 174.24072
• Monoisotopic Mass: 174.13682783
• SMILES: C(=O)(CCNCCOC)NCC
• Canonical SMILES: COCCNCCC(=O)NCC
• InChI: InChI=1S/C8H18N2O2/c1-3-10-8(11)4-5-9-6-7-12-2/h9H,3-7H2,1-2H3,(H,10,11)
• InChIKey: OEFGKGRDMZVWNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3-[(2-methoxyethyl)amino]propanamide
• IUPAC Traditional name: N-ethyl-3-[(2-methoxyethyl)amino]propanamide
• Synonyms: N-Ethyl-3-[(2-methoxyethyl)amino]propanamide

Database IDs

• MDL Number: MFCD10687367
• PubChem SID: 160987790
• PubChem CID: 28307188

CALCULATED PROPERTIES

• Acid pKa: 16.200945
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.8225663
• LogD (pH = 7.4): -2.408387
• Log P: -0.75131655
• Molar Refractivity: 47.9884 cm^3
• Polarizability: 18.901976 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false