Chemical Components in the PDB

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UIS : Summary

Code

UIS

One-letter code

X

Molecule name

N-[3-(diethylamino)phenyl]ethanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 ~{N}-[3-(diethylamino)phenyl]ethanamide

Formula

C12 H18 N2 O

Formal charge

0

Molecular weight

206.284 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCN(CC)c1cccc(NC(C)=O)c1
SMILES OpenEye OEToolkits 2.0.7 CCN(CC)c1cccc(c1)NC(=O)C
Canonical SMILES CACTVS 3.385 CCN(CC)c1cccc(NC(C)=O)c1
Canonical SMILES OpenEye OEToolkits 2.0.7 CCN(CC)c1cccc(c1)NC(=O)C

IUPAC InChI

InChI=1S/C12H18N2O/c1-4-14(5-2)12-8-6-7-11(9-12)13-10(3)15/h6-9H,4-5H2,1-3H3,(H,13,15)

IUPAC InChI key

FPUKYOSOAAPHTN-UHFFFAOYSA-N
UIS

wwPDB Information

Atom count

33 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-02-06

Last modified at

2024-02-16

Status

Released

Obsoleted

Not Assigned