chempirical

1,1-Dimethylethyl N-methyl-N-(4-oxocyclohexyl)carbamate

C12H21NO3CAS 400899-84-5227.30 g/mol

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NOOO
CarbamateKetone

Properties

Molecular formula
C12H21NO3
Molar mass
227.30 g/mol
Exact mass
227.1521 Da
logP
2.37Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
400899-84-5
SMILES
CN(C(=O)OC(C)(C)C)C1CCC(=O)CC1
InChIKey
JAMGILZSPQRPBH-UHFFFAOYSA-N
InChI
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13(4)9-5-7-10(14)8-6-9/h9H,5-8H2,1-4H3

Weigh it out

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

Names and synonyms

3 names
  • Carbamic acid, N-methyl-N-(4-oxocyclohexyl)-, 1,1-dimethylethyl ester
  • Carbamic acid, methyl(4-oxocyclohexyl)-, 1,1-dimethylethyl ester
  • tert-Butyl methyl(4-oxocyclohexyl)carbamate

Work with 1,1-Dimethylethyl N-methyl-N-(4-oxocyclohexyl)carbamate

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-N-Boc-4-N-methyl-aminopiperidine108612-54-069 % similar tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-354 % similar Boc-N-me-ser-oh101772-29-651 % similar tert-Butyl 2-methyl-4-oxopiperidine-1-carboxylate190906-92-449 % similar tert-Butyl 3-oxoazetidine-1-carboxylate398489-26-449 % similar N-Boc-cis-2,6-diethyl-4-piperidone1003843-30-848 % similar 1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate873924-08-448 % similar 3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-748 % similar

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

Same formula

tert-Butyl 2-oxa-6-azaspiro[3.5]nonane-6-carboxylate1245816-29-8 tert-Butyl 3-endo-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate143557-91-9 1-tert-Butoxycarbonyl-4-acetylpiperidine206989-61-9 1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate240401-27-8

Elsewhere

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