Chemical Components in the PDB

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NZ4 : Summary

Code

NZ4

One-letter code

X

Molecule name

N-(3-acetylphenyl)morpholine-4-carboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(3-acetylphenyl)morpholine-4-carboxamide
OpenEye OEToolkits 2.0.6 ~{N}-(3-ethanoylphenyl)morpholine-4-carboxamide

Formula

C13 H16 N2 O3

Formal charge

0

Molecular weight

248.278 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N(c1cccc(c1)C(C)=O)C(N2CCOCC2)=O
SMILES CACTVS 3.385 CC(=O)c1cccc(NC(=O)N2CCOCC2)c1
SMILES OpenEye OEToolkits 2.0.6 CC(=O)c1cccc(c1)NC(=O)N2CCOCC2
Canonical SMILES CACTVS 3.385 CC(=O)c1cccc(NC(=O)N2CCOCC2)c1
Canonical SMILES OpenEye OEToolkits 2.0.6 CC(=O)c1cccc(c1)NC(=O)N2CCOCC2

IUPAC InChI

InChI=1S/C13H16N2O3/c1-10(16)11-3-2-4-12(9-11)14-13(17)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,17)

IUPAC InChI key

GFGGXIIHWJXKMZ-UHFFFAOYSA-N
NZ4

wwPDB Information

Atom count

34 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-05-29

Last modified at

2019-07-05

Status

Released

Obsoleted

Not Assigned