Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

E5H : Summary

Code

E5H

One-letter code

X

Molecule name

2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide

Formula

C22 H28 N2 O2

Formal charge

0

Molecular weight

352.47 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O=C(COc1ccc(cc1)c2ccccc2)NCCCN3CCCCC3
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)c2ccc(cc2)OCC(=O)NCCCN3CCCCC3
Canonical SMILES CACTVS 3.385 O=C(COc1ccc(cc1)c2ccccc2)NCCCN3CCCCC3
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)c2ccc(cc2)OCC(=O)NCCCN3CCCCC3

IUPAC InChI

InChI=1S/C22H28N2O2/c25-22(23-14-7-17-24-15-5-2-6-16-24)18-26-21-12-10-20(11-13-21)19-8-3-1-4-9-19/h1,3-4,8-13H,2,5-7,14-18H2,(H,23,25)

IUPAC InChI key

IYYRFRHVGUOBGU-UHFFFAOYSA-N
E5H

wwPDB Information

Atom count

54 (26 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-02-20

Last modified at

2018-10-26

Status

Released

Obsoleted

Not Assigned