Chemical Components in the PDB

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F3Y : Summary

Code

F3Y

One-letter code

X

Molecule name

~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-[3-[(3-pentoxyphenyl)amino]phenyl]propanamide

Formula

C20 H26 N2 O2

Formal charge

0

Molecular weight

326.433 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCCCOc1cccc(Nc2cccc(NC(=O)CC)c2)c1
SMILES OpenEye OEToolkits 2.0.7 CCCCCOc1cccc(c1)Nc2cccc(c2)NC(=O)CC
Canonical SMILES CACTVS 3.385 CCCCCOc1cccc(Nc2cccc(NC(=O)CC)c2)c1
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCCCOc1cccc(c1)Nc2cccc(c2)NC(=O)CC

IUPAC InChI

InChI=1S/C20H26N2O2/c1-3-5-6-13-24-19-12-8-11-18(15-19)21-16-9-7-10-17(14-16)22-20(23)4-2/h7-12,14-15,21H,3-6,13H2,1-2H3,(H,22,23)

IUPAC InChI key

QMKCCMACIHDBEU-UHFFFAOYSA-N
F3Y

wwPDB Information

Atom count

50 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-07-18

Last modified at

2023-12-08

Status

Released

Obsoleted

Not Assigned