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CHEBI:3394 - carbetamide

ChEBI IDCHEBI:3394
ChEBI Namecarbetamide
Stars
DefinitionA carbamate ester obtained by the formal condensation of phenylcarbamic acid with the hydroxy group of N-ethyl-2-hydroxypropanamide.
Last Modified6 November 2014
DownloadsMolfile
FormulaC12H16N2O3
Net Charge0
Average Mass236.271
Monoisotopic Mass236.11609
SMILESCCNC(=O)[C@H](C)OC(=O)Nc1ccccc1
InChIInChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)/t9-/m0/s1
InChIKeyAMRQXHFXNZFDCH-VIFPVBQESA-N
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
carbetamide (CHEBI:3394) has functional parent phenylcarbamic acid (CHEBI:52496)
carbetamide (CHEBI:3394) has role environmental contaminant (CHEBI:78298)
carbetamide (CHEBI:3394) has role herbicide (CHEBI:24527)
carbetamide (CHEBI:3394) has role xenobiotic (CHEBI:35703)
carbetamide (CHEBI:3394) is a carbamate ester (CHEBI:23003)
carbetamide (CHEBI:3394) is a monocarboxylic acid amide (CHEBI:29347)
IUPAC Name 
(2S)-1-(ethylamino)-1-oxopropan-2-yl phenylcarbamate
Manual XrefsDatabases
C11075KEGG COMPOUND
carbetamideAlan Wood's Pesticides
Registry NumbersSources
Reaxys:2983326Reaxys
CAS:16118-49-3KEGG COMPOUND
CAS:16118-49-3NIST Chemistry WebBook
CAS:16118-49-3ChemIDplus
Citations