8AQ

4-(cyclohexylmethoxy)-2-methoxy-benzamide

Created:	2021-10-07
Last modified:	2022-08-22

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1 entries where 8AQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	6

2D diagram of 8AQ

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Chemical Component Summary
Name	4-(cyclohexylmethoxy)-2-methoxy-benzamide
Systematic Name (OpenEye OEToolkits)	4-(cyclohexylmethoxy)-2-methoxy-benzamide
Formula	C₁₅ H₂₁ N O₃
Molecular Weight	263.332
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1cc(OCC2CCCCC2)ccc1C(N)=O
SMILES	OpenEye OEToolkits	2.0.7	COc1cc(ccc1C(=O)N)OCC2CCCCC2
Canonical SMILES	CACTVS	3.385	COc1cc(OCC2CCCCC2)ccc1C(N)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1cc(ccc1C(=O)N)OCC2CCCCC2
InChI	InChI	1.06	InChI=1S/C15H21NO3/c1-18-14-9-12(7-8-13(14)15(16)17)19-10-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3,(H2,16,17)
InChIKey	InChI	1.06	AELPJNFNRYUNNH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	163203933

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.