Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A03AA01
UNII: 4V44H1O8XI

Structure

InChI Key DUDKAZCAISNGQN-UHFFFAOYSA-N
Smile CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1
InChI
InChI=1S/C20H28N2O3/c1-22-14-8-13-21-18(22)15-25-19(23)20(24,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2,4-5,9-10,17,24H,3,6-8,11-15H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H28N2O3
Molecular Weight 344.46
AlogP 2.73
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 62.13
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 25.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 7868
ChEMBL CHEMBL1495
DrugBank DB00383
DrugCentral 2026
EPA CompTox DTXSID4023410
FDA SRS 4V44H1O8XI
Human Metabolome Database HMDB0014527
Guide to Pharmacology 7256
KEGG C07851
PharmGKB PA164776910
PubChem 4642
SureChEMBL SCHEMBL250184