Structure

InChI Key QPCVHQBVMYCJOM-UHFFFAOYSA-N
Smiles CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1
InChI
InChI=1S/C23H29NO3/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21/h4-13,21H,3,14-18H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H29NO3
Molecular Weight 367.49
AlogP 3.99
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 38.77
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 27.0

Related Entries

Cross References

Resources Reference
ChEBI 8493
ChEMBL CHEMBL1078261
DrugBank DB12278
DrugCentral 2300
FDA SRS 468GE2241L
Human Metabolome Database HMDB0041999
KEGG C07852
PubChem 4942
SureChEMBL SCHEMBL94695
ZINC ZINC000001530934