chempirical

Diethylamino hydroxybenzoyl hexyl benzoate

C24H31NO4CAS 302776-68-7397.52 g/mol

Open in Covalent MOL file
OOONOH
EsterKetonePhenolTertiary amine

Properties

Molecular formula
C24H31NO4
Molar mass
397.52 g/mol
Exact mass
397.2253 Da
logP
5.21Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
11

Identifiers

CAS number
302776-68-7
SMILES
CCCCCCOC(=O)c1ccccc1C(=O)c1ccc(N(CC)CC)cc1O
InChIKey
FDATWRLUYRHCJE-UHFFFAOYSA-N
InChI
InChI=1S/C24H31NO4/c1-4-7-8-11-16-29-24(28)20-13-10-9-12-19(20)23(27)21-15-14-18(17-22(21)26)25(5-2)6-3/h9-10,12-15,17,26H,4-8,11,16H2,1-3H3

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Names and synonyms

8 names
  • Benzoic acid, 2-[4-(diethylamino)-2-hydroxybenzoyl]-, hexyl ester
  • Hexyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
  • Uvinul A plus
  • n-Hexyl 2-(4-diethylamino-2-hydroxybenzoyl)benzoate
  • Uvinul A plus granular
  • 2-(4′-Diethylamino-2′-hydroxybenzoyl)benzoic acid hexyl ester
  • Uvinul A+
  • Uvinar A PLUS GRRANULAR

Work with Diethylamino hydroxybenzoyl hexyl benzoate

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

2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid5809-23-461 % similar Hexyl salicylate6259-76-359 % similar N-Octyl salicylate6969-49-959 % similar Amyl salicylate2050-08-057 % similar 2-[4-(Dibutylamino)-2-hydroxybenzoyl]benzoic acid54574-82-257 % similar Di-N-octyl phthalate117-84-057 % similar Diheptyl phthalate3648-21-357 % similar Dihexyl phthalate84-75-357 % similar

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

Same formula

Drotaverine14009-24-6

Elsewhere

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