NWH

N-[(2S)-heptan-2-yl]formamide

Created:2017-05-02
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count1
Bond Count26
Aromatic Bond Count0
2D diagram of NWH
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Chemical Component Summary

NameN-[(2S)-heptan-2-yl]formamide
Synonyms(S)-N-1-methylhexylformamide
Systematic Name (OpenEye OEToolkits)~{N}-[(2~{S})-heptan-2-yl]methanamide
FormulaC8 H17 N O
Molecular Weight143.227
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCCCCC(C)NC=O
SMILESCACTVS3.385CCCCC[CH](C)NC=O
SMILESOpenEye OEToolkits2.0.6CCCCCC(C)NC=O
Canonical SMILESCACTVS3.385 CCCCC[C@H](C)NC=O
Canonical SMILESOpenEye OEToolkits2.0.6 CCCCC[C@H](C)NC=O
InChIInChI1.03 InChI=1S/C8H17NO/c1-3-4-5-6-8(2)9-7-10/h7-8H,3-6H2,1-2H3,(H,9,10)/t8-/m0/s1
InChIKeyInChI1.03 GFVRKPKAQHTAQK-QMMMGPOBSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB03061 
Name(R)-N-(1-Methyl-Hexyl)-Formamide
Groups experimental
Synonyms(R)-N-(1-Methyl-Hexyl)-Formamide

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Alcohol dehydrogenase 1CMSTAGKVIKCKAAVLWELKKPFSIEEVEVAPPKAHEVRIKMVAAGICRSD...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 5289037