• 
  [Synonyms]
  NSC95142
  ST5443414
  75761-07-8
  
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	310.38864 [g/mol]
  Molecular Formula	C16H26N2O4
  XLogP	1
  H-Bond Donor	2
  H-Bond Acceptor	4
  Rotatable Bond Count	8
  Tautomer Count	36
  Exact Mass	310.189257
  MonoIsotopic Mass	310.189257
  Topological Polar Surface Area	92.3
  Heavy Atom Count	22
  Formal Charge	0
  Complexity	386
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	0
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: 3-oxo-N-[[4-[(3-oxobutanoylamino)methyl]cyclohexyl]methyl]butanamide
  Canonical SMILES: CC(=O)CC(=O)NCC1CCC(CC1)CNC(=O)CC(=O)C
  InChI: InChI=1/C16H26N2O4/c1-11(19)7-15(21)17-9-13-3-5-14(6-4-13)10-18-16(22)8-
  12(2)20/h13-14H,3-10H2,1-2H3,(H,17,21)(H,18,22)/f/h17-18H