3-[(3-methoxypropyl)amino]propanamide

• ChemBase ID: 24279
• Molecular Formular: C7H16N2O2
• Molecular Mass: 160.21414
• Monoisotopic Mass: 160.12117776
• SMILES: C(=O)(CCNCCCOC)N
• Canonical SMILES: COCCCNCCC(=O)N
• InChI: InChI=1S/C7H16N2O2/c1-11-6-2-4-9-5-3-7(8)10/h9H,2-6H2,1H3,(H2,8,10)
• InChIKey: LPTDXAZAYMWSHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(3-methoxypropyl)amino]propanamide
• IUPAC Traditional name: 3-[(3-methoxypropyl)amino]propanamide
• Synonyms: 3-[(3-Methoxypropyl)amino]propanamide

Database IDs

• MDL Number: MFCD10687249
• PubChem SID: 160987586
• PubChem CID: 28306974

CALCULATED PROPERTIES

• Acid pKa: 16.699947
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.4667773
• LogD (pH = 7.4): -3.5117188
• Log P: -1.2718408
• Molar Refractivity: 43.2085 cm^3
• Polarizability: 17.066732 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false