4P-PDOT   Click here for help

GtoPdb Ligand ID: 1358

Synonyms: 4-phenyl-2-propionamidotetraline | N-(4-phenyltetralin-2-yl)propanamide
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 29.1
Molecular weight 279.16
XLogP 3.56
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCC(=O)NC1Cc2ccccc2C(C1)c1ccccc1
Isomeric SMILES CCC(=O)NC1Cc2ccccc2C(C1)c1ccccc1
InChI InChI=1S/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)
InChI Key RCYLUNPFECYGDW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
Synonyms Click here for help
4-phenyl-2-propionamidotetraline | N-(4-phenyltetralin-2-yl)propanamide
Database Links Click here for help
Specialist databases
GPCRdb Ligand 4P-PDOT
Other databases
BindingDB Ligand 50240440
ChEMBL Ligand CHEMBL285718
GtoPdb PubChem SID 135649804
PubChem CID 3976006
Search Google for chemical match using the InChIKey RCYLUNPFECYGDW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RCYLUNPFECYGDW
UniChem Compound Search for chemical match using the InChIKey RCYLUNPFECYGDW-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey RCYLUNPFECYGDW-UHFFFAOYSA-N

Product suppliers

View disclaimer

Tocris
4-P-PDOT (links to external site)
Cat. No. 1034