Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 543567RFQQ

Structure

InChI Key SWRUZBWLEWHWRI-UHFFFAOYSA-N
Smile OC(CCN1CCCCC1)(c1ccccc1)C1CCCC1
InChI
InChI=1S/C19H29NO/c21-19(18-11-5-6-12-18,17-9-3-1-4-10-17)13-16-20-14-7-2-8-15-20/h1,3-4,9-10,18,21H,2,5-8,11-16H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H29NO
Molecular Weight 287.45
AlogP 3.94
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 21.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 59692
ChEMBL CHEMBL1201227
DrugBank DB00942
DrugCentral 763
FDA SRS 543567RFQQ
Human Metabolome Database HMDB0015077
PharmGKB PA164749387
PubChem 2911
SureChEMBL SCHEMBL249004