chempirical

Fenretinide

C26H33NO2CAS 65646-68-6391.56 g/mol

Open in Covalent MOL file
ONHOH
AlkeneAmidePhenol

Properties

Molecular formula
C26H33NO2
Molar mass
391.56 g/mol
Exact mass
391.2511 Da
Melting point
173–175 °C
logP
6.86Crippen estimate
Polar surface area
49.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
6
Double bonds
E, E, E, EE/Z, in SMILES order

Identifiers

CAS number
65646-68-6
SMILES
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1
InChIKey
AKJHMTWEGVYYSE-FXILSDISSA-N
InChI
InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+

Weigh it out

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

Names and synonyms

12 names
  • Retinamide, N-(4-hydroxyphenyl)-
  • N-(4-Hydroxyphenyl)retinamide
  • N-(4-Hydroxyphenyl)-all-trans-retinamide
  • Retinoic acid p-hydroxyphenylamide
  • All-trans-N-(4-Hydroxyphenyl)retinamide
  • (4-Hydroxyphenyl)retinamide
  • Ro 22-4667
  • 4-HPR
  • All-trans-4′-Hydroxyretinanilide
  • RII retinamide
  • MK 4016
  • Retinoic acid p-hydroxyanilide

Work with Fenretinide

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

Viaminate53839-71-772 % similar Retinoic acid302-79-462 % similar Isotretinoin4759-48-262 % similar 9-cis-Retinoic acid5300-03-862 % similar β-Carotene7235-40-758 % similar Retinal116-31-456 % similar Vitamin A11103-57-454 % similar Retinol68-26-854 % similar

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

Same formula

Abiraterone acetate154229-18-2

Elsewhere

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