Structure

InChI Key VTUSIVBDOCDNHS-UHFFFAOYSA-N
Smile CCCN(CC)C(CC)C(=O)Nc1c(C)cccc1C
InChI
InChI=1S/C17H28N2O/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5/h9-11,15H,6-8,12H2,1-5H3,(H,18,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H28N2O
Molecular Weight 276.42
AlogP 3.75
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 32.34
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Cross References

Resources Reference
ChEBI 4904
ChEMBL CHEMBL492
DrugBank DB08987
DrugCentral 1097
EPA CompTox DTXSID1023027
FDA SRS K9D2CE52PU
Guide to Pharmacology 2621
KEGG C07530
PubChem 37497
SureChEMBL SCHEMBL57261