carbetamide (CHEBI:3394)

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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

Download	Molfile XML SDF

Formula

C12H16N2O3

Net Charge

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.

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

Last Modified

06 November 2014

General Comment
2014-10-29	Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag