Structure

InChI Key SVDHSZFEQYXRDC-UHFFFAOYSA-N
Smile CCC(=O)C(CC(C)N1CCCCC1)(c1ccccc1)c1ccccc1
InChI
InChI=1S/C24H31NO/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H31NO
Molecular Weight 349.52
AlogP 5.22
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 20.31
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 26.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135479
ChEMBL CHEMBL2111157
DrugBank DB01491
DrugCentral 921
EPA CompTox DTXSID50894759
FDA SRS X188638Y2V
Guide to Pharmacology 9081
PubChem 13331
SureChEMBL SCHEMBL25367