Synonyms
Status
Molecule Category Free-form
ATC N01BB09
UNII 7IO5LYA57N
EPA CompTox DTXSID4040187

Structure

InChI Key ZKMNUMMKYBVTFN-HNNXBMFYSA-N
Smiles CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C
InChI
InChI=1S/C17H26N2O/c1-4-11-19-12-6-5-10-15(19)17(20)18-16-13(2)8-7-9-14(16)3/h7-9,15H,4-6,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H26N2O
Molecular Weight 274.41
AlogP 3.51
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 32.34
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 20.0

Related Entries

Cross References

Resources Reference
ChEBI 8890
ChEMBL CHEMBL1077896
DrugBank DB00296
DrugCentral 2403
FDA SRS 7IO5LYA57N
Human Metabolome Database HMDB0014441
Guide to Pharmacology 7602
KEGG C07532
PubChem 175805
SureChEMBL SCHEMBL33292
ZINC ZINC000000897002