N-propyl-2-(propylamino)acetamide

• ChemBase ID: 261219
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: C(=O)(NCCC)CNCCC
• Canonical SMILES: CCCNCC(=O)NCCC
• InChI: InChI=1S/C8H18N2O/c1-3-5-9-7-8(11)10-6-4-2/h9H,3-7H2,1-2H3,(H,10,11)
• InChIKey: QSARLKFZRYMYSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-propyl-2-(propylamino)acetamide
• IUPAC Traditional name: N-propyl-2-(propylamino)acetamide
• Synonyms: N-propyl-2-(propylamino)acetamide

Database IDs

• MDL Number: MFCD11154482
• PubChem SID: 164317129
• PubChem CID: 23560856

CALCULATED PROPERTIES

• Acid pKa: 16.255276
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.6024213
• LogD (pH = 7.4): -1.1726148
• Log P: 0.460499
• Molar Refractivity: 46.0421 cm^3
• Polarizability: 18.198185 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.852

Product Information

• Purity: 95%