chempirical

N,N′-1,4-Phenylenebis[3-oxobutanamide]

C14H16N2O4CAS 24731-73-5276.29 g/mol

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OOHNNHOO
AmideKetone

Properties

Molecular formula
C14H16N2O4
Molar mass
276.29 g/mol
Exact mass
276.1110 Da
Melting point
355 °C (decomposes)
logP
1.52Crippen estimate
Polar surface area
92.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6

Identifiers

CAS number
24731-73-5
SMILES
CC(=O)CC(=O)Nc1ccc(NC(=O)CC(C)=O)cc1
InChIKey
OWGNKUKYZPVEFS-UHFFFAOYSA-N
InChI
InChI=1S/C14H16N2O4/c1-9(17)7-13(19)15-11-3-5-12(6-4-11)16-14(20)8-10(2)18/h3-6H,7-8H2,1-2H3,(H,15,19)(H,16,20)

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Names and synonyms

7 names
  • Butanamide, N,N′-1,4-phenylenebis[3-oxo-
  • Acetoacetamide, N,N′-p-phenylenebis-
  • 1,4-Bis(acetoacetylamino)benzene
  • 1,4-Bis(acetoacetamido)benzene
  • NSC 87597
  • N,N′-(1,4-Phenylene)bis(acetoacetamide)
  • 3-Oxo-N-[4-(3-oxobutanoylamino)phenyl]butanamide

Work with N,N′-1,4-Phenylenebis[3-oxobutanamide]

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-(4-Methylphenyl)-3-oxobutanamide2415-85-283 % similar N-(4-Chlorophenyl)-3-oxobutanamide101-92-880 % similar N-(4-Methoxyphenyl)-3-oxobutanamide5437-98-975 % similar N-(4-Ethoxyphenyl)-3-oxobutanamide122-82-771 % similar Naphtanilide G91-96-354 % similar N-(4-Chloro-2-methylphenyl)-3-oxobutanamide20139-55-350 % similar N-Phenyl-isobutyloylacetamide124401-38-346 % similar 2-Chloro-N-(4-methylphenyl)acetamide16634-82-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,6-Bismaleimidohexane4856-87-5

Elsewhere

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