566

(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE

Created: 2006-06-12
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count1
Bond Count45
Aromatic Bond Count6
2D diagram of 566
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Chemical Component Summary

Name(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE
Systematic Name (OpenEye OEToolkits)(3S)-1-cyclohexyl-5-oxo-N-phenyl-pyrrolidine-3-carboxamide
FormulaC17 H22 N2 O2
Molecular Weight286.369
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C3N(C1CCCCC1)CC(C(=O)Nc2ccccc2)C3
SMILESCACTVS3.341O=C1C[CH](CN1C2CCCCC2)C(=O)Nc3ccccc3
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)NC(=O)C2CC(=O)N(C2)C3CCCCC3
Canonical SMILESCACTVS3.341 O=C1C[C@@H](CN1C2CCCCC2)C(=O)Nc3ccccc3
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3
InChIInChI1.03 InChI=1S/C17H22N2O2/c20-16-11-13(12-19(16)15-9-5-2-6-10-15)17(21)18-14-7-3-1-4-8-14/h1,3-4,7-8,13,15H,2,5-6,9-12H2,(H,18,21)/t13-/m0/s1
InChIKeyInChI1.03 BVUSHGJZBZMDML-ZDUSSCGKSA-N

Drug Info: DrugBank

DrugBank IDDB07155 
Name(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE
Groups experimental
Synonyms(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-3-CARBOXAMIDE

Drug Targets

NameTarget SequencePharmacological ActionActions
Enoyl-[acyl-carrier-protein] reductase [NADH]MTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRI...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 2266114
ChEBI CHEBI:40149