JGJ

2-methoxy-N-[(1R)-1-phenylethyl]acetamide

Created:	2018-09-10
Last modified:	2018-10-10

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2 entries where JGJ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	1
Bond Count	29
Aromatic Bond Count	6

2D diagram of JGJ

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Chemical Component Summary
Name	2-methoxy-N-[(1R)-1-phenylethyl]acetamide
Systematic Name (OpenEye OEToolkits)	2-methoxy-~{N}-[(1~{R})-1-phenylethyl]ethanamide
Formula	C₁₁ H₁₅ N O₂
Molecular Weight	193.242
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(NC(C)c1ccccc1)(=O)COC
SMILES	CACTVS	3.385	COCC(=O)N[CH](C)c1ccccc1
SMILES	OpenEye OEToolkits	2.0.6	CC(c1ccccc1)NC(=O)COC
Canonical SMILES	CACTVS	3.385	COCC(=O)N[C@H](C)c1ccccc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@H](c1ccccc1)NC(=O)COC
InChI	InChI	1.03	InChI=1S/C11H15NO2/c1-9(12-11(13)8-14-2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)/t9-/m1/s1
InChIKey	InChI	1.03	LJEDIKNIRTZHGK-SECBINFHSA-N

Related Resource References

Resource Name	Reference
PubChem	835321

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.