Chemical Components in the PDB

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VRH : Summary

Code

VRH

One-letter code

X

Molecule name

N-methoxy-2-(2-methoxy-4-methylphenoxy)acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-methoxy-2-(2-methoxy-4-methylphenoxy)acetamide
OpenEye OEToolkits 2.0.7 ~{N}-methoxy-2-(2-methoxy-4-methyl-phenoxy)ethanamide

Formula

C11 H15 N O4

Formal charge

0

Molecular weight

225.241 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 COc1cc(C)ccc1OCC(=O)NOC
SMILES CACTVS 3.385 CONC(=O)COc1ccc(C)cc1OC
SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(c(c1)OC)OCC(=O)NOC
Canonical SMILES CACTVS 3.385 CONC(=O)COc1ccc(C)cc1OC
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccc(c(c1)OC)OCC(=O)NOC

IUPAC InChI

InChI=1S/C11H15NO4/c1-8-4-5-9(10(6-8)14-2)16-7-11(13)12-15-3/h4-6H,7H2,1-3H3,(H,12,13)

IUPAC InChI key

YEBZKMWVAQUTLC-UHFFFAOYSA-N
VRH

wwPDB Information

Atom count

31 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-09-02

Last modified at

2022-10-28

Status

Released

Obsoleted

Not Assigned