Cas no 59900-28-6 (Butanamide, N-[1-(2-methylpropyl)-2-oxopentyl]-)

Butanamide, N-[1-(2-methylpropyl)-2-oxopentyl]- structure
59900-28-6 structure
Product Name:Butanamide, N-[1-(2-methylpropyl)-2-oxopentyl]-
CAS No:59900-28-6
MF:C13H25NO2
MW:227.343104124069
CID:336911
PubChem ID:12270053
Update Time:2025-04-19

Butanamide, N-[1-(2-methylpropyl)-2-oxopentyl]- Chemical and Physical Properties

Names and Identifiers

    • Butanamide, N-[1-(2-methylpropyl)-2-oxopentyl]-
    • N-(2-methyl-5-oxooctan-4-yl)butanamide
    • DTXSID80483332
    • 59900-28-6
    • Inchi： 1S/C13H25NO2/c1-5-7-12(15)11(9-10(3)4)14-13(16)8-6-2/h10-11H,5-9H2,1-4H3,(H,14,16)
    • InChI Key： MAJUGVCWABOQOS-UHFFFAOYSA-N
    • SMILES： O=C(CCC)C(CC(C)C)NC(CCC)=O

Computed Properties

  • Exact Mass: 227.18865
  • Monoisotopic Mass: 227.188529040g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 8
  • Complexity: 224
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 46.2?2

Experimental Properties

  • PSA: 46.17

Butanamide, N-[1-(2-methylpropyl)-2-oxopentyl]- Related Literature

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