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LR9 : Summary

Code

LR9

One-letter code

X

Molecule name

3-amino-N-ethyl-N-methylbenzamide

Systematic names

ProgramVersionName
ACDLabs 12.01 3-amino-N-ethyl-N-methylbenzamide
OpenEye OEToolkits 2.0.7 3-azanyl-~{N}-ethyl-~{N}-methyl-benzamide

Formula

C10 H14 N2 O

Formal charge

0

Molecular weight

178.231 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(c1cc(N)ccc1)N(C)CC
SMILES CACTVS 3.385 CCN(C)C(=O)c1cccc(N)c1
SMILES OpenEye OEToolkits 2.0.7 CCN(C)C(=O)c1cccc(c1)N
Canonical SMILES CACTVS 3.385 CCN(C)C(=O)c1cccc(N)c1
Canonical SMILES OpenEye OEToolkits 2.0.7 CCN(C)C(=O)c1cccc(c1)N

IUPAC InChI

InChI=1S/C10H14N2O/c1-3-12(2)10(13)8-5-4-6-9(11)7-8/h4-7H,3,11H2,1-2H3

IUPAC InChI key

URNKFNQWYLXELN-UHFFFAOYSA-N
LR9

wwPDB Information

Atom count

27 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-03-04

Last modified at

2022-03-11

Status

Released

Obsoleted

Not Assigned