chempirical

Piperlonguminine

C16H19NO3CAS 5950-12-9273.33 g/mol

Open in Covalent MOL file
NHOOO
AcetalAlkeneEther

Properties

Molecular formula
C16H19NO3
Molar mass
273.33 g/mol
Exact mass
273.1365 Da
Melting point
165–166 °C
logP
3.60Crippen estimate
Polar surface area
51.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5
Double bonds
E, EE/Z, in SMILES order

Identifiers

CAS number
5950-12-9
SMILES
CC(C)CN=C(O)/C=C/C=C/c1ccc2c(c1)OCO2
InChIKey
WHAAPCGHVWVUEX-GGWOSOGESA-N
InChI
InChI=1S/C16H19NO3/c1-12(2)10-17-16(18)6-4-3-5-13-7-8-14-15(9-13)20-11-19-14/h3-9,12H,10-11H2,1-2H3,(H,17,18)/b5-3+,6-4+

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 2,4-Pentadienamide, 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (2E,4E)-
  • Piperamide, N-isobutyl-
  • 2,4-Pentadienamide, 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (E,E)-
  • (2E,4E)-5-(1,3-Benzodioxol-5-yl)-N-(2-methylpropyl)-2,4-pentadienamide
  • Piperlonguminin
  • N-Isobutylpiperamide
  • NSC 125178

Work with Piperlonguminine

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

3′,4′-Methylenedioxycinnamic acid2373-80-048 % similar 5-(1,3-Benzodioxol-5-yl)-1-(1-piperidinyl)-2,4-pentadien-1-one7780-20-346 % similar Isosafrole120-58-146 % similar Heliotropyl acetone3160-37-045 % similar 1,3-Benzodioxole-5-carboxaldehyde oxime2089-36-344 % similar Stiripentol49763-96-443 % similar Piperonal120-57-038 % similar 5-(2-Nitroethenyl)-1,3-benzodioxole1485-00-337 % similar

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

Elsewhere

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