N,N'-dipropylethanediamide

• ChemBase ID: 83270
• Molecular Formular: C8H16N2O2
• Molecular Mass: 172.22484
• Monoisotopic Mass: 172.12117776
• SMILES: O=C(C(=O)NCCC)NCCC
• Canonical SMILES: CCCNC(=O)C(=O)NCCC
• InChI: InChI=1S/C8H16N2O2/c1-3-5-9-7(11)8(12)10-6-4-2/h3-6H2,1-2H3,(H,9,11)(H,10,12)
• InChIKey: FRZWXXLIRIYHFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N'-dipropylethanediamide
• IUPAC Traditional name: N,N'-dipropylethanediamide
• Synonyms: N1,N2-dipropylethanediamide

Database IDs

• MDL Number: MFCD00027894
• PubChem SID: 162070389
• PubChem CID: 123335

CALCULATED PROPERTIES

• Acid pKa: 13.444136
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.32837602
• LogD (pH = 7.4): 0.3283757
• Log P: 0.32837602
• Molar Refractivity: 46.4216 cm^3
• Polarizability: 17.910904 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true