CHEBI:3394 - carbetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name carbetamide
ChEBI ID CHEBI:3394
Definition A carbamate ester obtained by the formal condensation of phenylcarbamic acid with the hydroxy group of N-ethyl-2-hydroxypropanamide.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB2724915, eMolecules:509860, ZINC000000097471
Download Molfile XML SDF
Formula C12H16N2O3
Net Charge 0
Average Mass 236.26700
Monoisotopic Mass 236.11609
InChI InChI=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
InChIKey AMRQXHFXNZFDCH-VIFPVBQESA-N
SMILES CCNC(=O)[C@H](C)OC(=O)Nc1ccccc1
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): 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(s): herbicide
A substance used to destroy plant pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
C11075 KEGG COMPOUND
carbetamide Alan Wood's Pesticides
View more database links
Registry Numbers Types Sources
16118-49-3 CAS Registry Number KEGG COMPOUND
16118-49-3 CAS Registry Number NIST Chemistry WebBook
16118-49-3 CAS Registry Number ChemIDplus
2983326 Reaxys Registry Number Reaxys
Citations Types Sources
20183088 PubMed citation Europe PMC
5016617 PubMed citation Europe PMC
IND23225565 Agricola citation Europe PMC
Last Modified
06 November 2014
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag