Structure

InChI Key INWLQCZOYSRPNW-UHFFFAOYSA-N
Smile Cc1cccc(C)c1NC(=O)C1CCCCN1C
InChI
InChI=1S/C15H22N2O/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H22N2O
Molecular Weight 246.35
AlogP 2.73
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 32.34
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pain 3 D010146 ClinicalTrials
Osteoarthritis, Hip 2 D015207 ClinicalTrials
Osteoarthritis, Knee 2 D020370 ClinicalTrials
Compartment Syndromes 1 D003161 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 6759
ChEMBL CHEMBL1087
DrugBank DB00961
DrugCentral 1700
EPA CompTox DTXSID9023259
FDA SRS B6E06QE59J
Human Metabolome Database HMDB15096
Guide to Pharmacology 7224
KEGG C07528
PharmGKB PA164748741
PubChem 4062
SureChEMBL SCHEMBL25314