JEY

N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide

Created:	2018-09-06
Last modified:	2020-06-05

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5 entries where JEY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	16

2D diagram of JEY

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Chemical Component Summary
Name	N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide
Synonyms	2-phenylmelatonin
Systematic Name (OpenEye OEToolkits)	~{N}-[2-(5-methoxy-2-phenyl-1~{H}-indol-3-yl)ethyl]ethanamide
Formula	C₁₉ H₂₀ N₂ O₂
Molecular Weight	308.374
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(c3c1cc(OC)ccc1nc3c2ccccc2)CNC(=O)C
SMILES	CACTVS	3.385	COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)c3ccccc3
SMILES	OpenEye OEToolkits	2.0.6	CC(=O)NCCc1c2cc(ccc2[nH]c1c3ccccc3)OC
Canonical SMILES	CACTVS	3.385	COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(=O)NCCc1c2cc(ccc2[nH]c1c3ccccc3)OC
InChI	InChI	1.03	InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
InChIKey	InChI	1.03	OFCLARYYBGKCHN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	4018512
ChEMBL	CHEMBL15060
ChEBI	CHEBI:107661

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.