[(2R)-1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate (Q63391662)

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chemical compound

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Language	Label	Description	Also known as
English	[(2R)-1-(ethylamino)-1-oxopropan-2-yl] N-phenylcarbamate	chemical compound

Statements

instance of

type of chemical entity

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subclass of

Carbetamide

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based on heuristic

inferred from InChIKey

mass

236.116092372 dalton

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based on heuristic

inferred from isomeric SMILES

stereoisomer of

carbetamide

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based on heuristic

inferred from InChI

chemical formula

C₁₂H₁₆N₂O₃

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canonical SMILES

CCNC(=O)C(C)OC(=O)Nc1ccccc1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCNC(=O)[C@@H](C)OC(=O)NC1=CC=CC=C1

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Identifiers

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-/m1/s1

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InChIKey

AMRQXHFXNZFDCH-SECBINFHSA-N

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CAS Registry Number

16118-49-3

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stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

152031

1 reference

matched by identifier from

InChIKey

InChIKey

AMRQXHFXNZFDCH-SECBINFHSA-N

UniChem compound ID

3652519

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Waters-WA001324

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MSBNK-Waters-WA001325

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MSBNK-Waters-WA001326

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MSBNK-Waters-WA001327

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MSBNK-Waters-WA001328

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MSBNK-Waters-WA001329

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DSSTox substance ID

DTXSID7041756

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matched by identifier from

InChIKey

InChIKey

AMRQXHFXNZFDCH-SECBINFHSA-N

UNII

A75ON2B2V7

1 reference

matched by identifier from

InChIKey

InChIKey

AMRQXHFXNZFDCH-SECBINFHSA-N

 

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