chempirical

Felbamate

C11H14N2O4CAS 25451-15-4238.24 g/mol

Open in Covalent MOL file
NH2OOOH2NO

Properties

Molecular formula
C11H14N2O4
Molar mass
238.24 g/mol
Exact mass
238.0954 Da
Melting point
151.5 °C
logP
1.79Crippen estimate
Polar surface area
106.6 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
5

Identifiers

CAS number
25451-15-4
SMILES
N=C(O)OCC(COC(=N)O)c1ccccc1
InChIKey
WKGXYQFOCVYPAC-UHFFFAOYSA-N
InChI
InChI=1S/C11H14N2O4/c12-10(14)16-6-9(7-17-11(13)15)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,14)(H2,13,15)

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

Names and synonyms

10 names
  • 1,3-Propanediol, 2-phenyl-, 1,3-dicarbamate
  • 1,3-Propanediol, 2-phenyl-, dicarbamate
  • Carbamic acid, 2-phenyltrimethylene ester
  • W 554
  • Felbatol
  • Felbamyl
  • Taloxa
  • ADD 03055
  • 1,3-Bis(carbamoyloxy)-2-phenylpropane
  • 2-Phenyl-1,3-propanediol dicarbamate

Work with Felbamate

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

Benzyl carbamate621-84-155 % similar Phenprobamate673-31-451 % similar Methocarbamol532-03-645 % similar Phenyl carbamate622-46-845 % similar (-)-4-Phenyl-2-oxazolidinone90319-52-142 % similar (S)-(+)-4-Phenyl-2-oxazolidinone99395-88-742 % similar 3-Phenylglutaric acid4165-96-242 % similar Chlorphenesin carbamate886-74-841 % similar

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

Same formula

3-Amino-N-[(phenylmethoxy)carbonyl]-D-alanine62234-37-1 Glycyl-L-tyrosine658-79-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook