BOMPPA   Click here for help

GtoPdb Ligand ID: 7924

Synonyms: benzyloxy-methoxyphenyl-propylamide | compound 10 [PMID: 23228808] [1]
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 47.56
Molecular weight 341.2
XLogP 3.98
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCC(=O)NCCCc1cc(OC)ccc1Cc1cccc(c1)OC
Isomeric SMILES CCC(=O)NCCCc1cc(OC)ccc1Cc1cccc(c1)OC
InChI InChI=1S/C21H27NO3/c1-4-21(23)22-12-6-8-17-15-20(25-3)11-10-18(17)13-16-7-5-9-19(14-16)24-2/h5,7,9-11,14-15H,4,6,8,12-13H2,1-3H3,(H,22,23)
InChI Key GJRIGACGWLYZAO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[3-[5-methoxy-2-[(3-methoxyphenyl)methyl]phenyl]propyl]propanamide
Synonyms Click here for help
benzyloxy-methoxyphenyl-propylamide | compound 10 [PMID: 23228808] [1]
Database Links Click here for help
Specialist databases
GPCRdb Ligand BOMPPA
Other databases
ChEMBL Ligand CHEMBL2326202
GtoPdb PubChem SID 249565607
PubChem CID 71508234
Search Google for chemical match using the InChIKey GJRIGACGWLYZAO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone GJRIGACGWLYZAO
UniChem Compound Search for chemical match using the InChIKey GJRIGACGWLYZAO-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey GJRIGACGWLYZAO-UHFFFAOYSA-N