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Summary Geometry Related PDB entries

98C

Summary

Name:	N,N~2~-bis[(4-methoxyphenyl)methyl]glycinamide
Formula:	C18 H22 N2 O3
Formal charge:	0
Formula weight:	314.379 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N,N~2~-bis[(4-methoxyphenyl)methyl]glycinamide
OpenEye OEToolkits	2.0.7	~{N}-[(4-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylamino]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1ccc(CNCC(=O)NCc2ccc(OC)cc2)cc1
InChI	InChI	1.03	InChI=1S/C18H22N2O3/c1-22-16-7-3-14(4-8-16)11-19-13-18(21)20-12-15-5-9-17(23-2)10-6-15/h3-10,19H,11-13H2,1-2H3,(H,20,21)
InChIKey	InChI	1.03	RXVZBFSJKBZCTM-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(CNCC(=O)NCc2ccc(OC)cc2)cc1
SMILES	CACTVS	3.385	COc1ccc(CNCC(=O)NCc2ccc(OC)cc2)cc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)CNCC(=O)NCc2ccc(cc2)OC
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)CNCC(=O)NCc2ccc(cc2)OC

222415

PDB entries from 2024-07-10

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