chempirical

4-Oxo-N-(4-hydroxyphenyl)retinamide

C26H31NO3CAS 865536-65-8405.54 g/mol

Open in Covalent MOL file
OONHOH
AlkeneAmideKetonePhenol

Properties

Molecular formula
C26H31NO3
Molar mass
405.54 g/mol
Exact mass
405.2304 Da
logP
6.04Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Double bonds
E, E, E, EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
865536-65-8
SMILES
CC1=C(C(CCC1=O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NC2=CC=C(C=C2)O)/C)/C
InChIKey
NZVOGZATHCUFRC-KFJFTADJSA-N
InChI
InChI=1S/C26H31NO3/c1-18(9-14-23-20(3)24(29)15-16-26(23,4)5)7-6-8-19(2)17-25(30)27-21-10-12-22(28)13-11-21/h6-14,17,28H,15-16H2,1-5H3,(H,27,30)/b8-6+,14-9+,18-7+,19-17+

Weigh it out

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

Names and synonyms

1 names
  • 4-Oxofenretinide

Work with 4-Oxo-N-(4-hydroxyphenyl)retinamide

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

(4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-230 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook