chempirical

N,N'-Bis(4-hydroxy-2,6-dimethylphenyl)ethanediamide

C18H20N2O4CAS 1809288-95-6328.37 g/mol

Open in Covalent MOL file
NHOONHOHHO
AmidePhenol

Properties

Molecular formula
C18H20N2O4
Molar mass
328.37 g/mol
Exact mass
328.1423 Da
logP
2.91Crippen estimate
Polar surface area
98.7 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
2

Identifiers

CAS number
1809288-95-6
SMILES
CC1=CC(=CC(=C1NC(=O)C(=O)NC2=C(C=C(C=C2C)O)C)C)O
InChIKey
VGDOSNKYJILNDC-UHFFFAOYSA-N
InChI
InChI=1S/C18H20N2O4/c1-9-5-13(21)6-10(2)15(9)19-17(23)18(24)20-16-11(3)7-14(22)8-12(16)4/h5-8,21-22H,1-4H3,(H,19,23)(H,20,24)

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Names and synonyms

1 names
  • N1,N2-Bis(4-hydroxy-2,6-dimethylphenyl)oxalamide

Work with N,N'-Bis(4-hydroxy-2,6-dimethylphenyl)ethanediamide

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

5,7-Dimethylisatin39603-24-250 % similar 5-Chloro-7-methylisatin14389-06-147 % similar 2,6-Dimethylhydroquinone654-42-245 % similar 4-Amino-3,5-dimethylphenol3096-70-643 % similar 4-Bromo-3,5-dimethylphenol7463-51-642 % similar Chloroxylenol88-04-042 % similar 4-Hydroxy-2-methylbenzoic acid578-39-241 % similar 4′-Hydroxy-2′-methylacetophenone875-59-241 % similar

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

Elsewhere

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