chempirical

Dimepranol acedoben

C14H22N2O4CAS 61990-51-0282.34 g/mol

Open in Covalent MOL file
OHNOOHHON
AlcoholCarboxylic acidTertiary amine

Properties

Molecular formula
C14H22N2O4
Molar mass
282.34 g/mol
Exact mass
282.1580 Da
logP
1.92Crippen estimate
Polar surface area
93.4 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
4

Identifiers

CAS number
61990-51-0
SMILES
CC(O)=Nc1ccc(C(=O)O)cc1.CC(O)CN(C)C
InChIKey
FJFQBKRMSCKTSE-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO3.C5H13NO/c1-6(11)10-8-4-2-7(3-5-8)9(12)13;1-5(7)4-6(2)3/h2-5H,1H3,(H,10,11)(H,12,13);5,7H,4H2,1-3H3

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

Names and synonyms

3 names
  • Benzoic acid, 4-(acetylamino)-, compd. with 1-(dimethylamino)-2-propanol (1:1)
  • 2-Propanol, 1-(dimethylamino)-, 4-(acetylamino)benzoate (salt)
  • NSC 59001

Work with Dimepranol acedoben

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

Acedoben556-08-163 % similar Isoprinosine36703-88-555 % similar N-(4-Acetylphenyl)acetamide2719-21-346 % similar 3-Acetamidobenzoic acid587-48-445 % similar p-Chloroacetylacetanilide140-49-844 % similar N,N′-Diacetyl-P-phenylenediamine140-50-141 % similar 4,4′-(1,2-Diazenediyl)bis[benzoic acid]586-91-441 % similar 4-Acetamidosalicylic acid50-86-240 % similar

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

Elsewhere

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