(1R,2R,6R,7S,10R)-8-[2-(diethylamino)ethyl]-10,11-dimethyl-4-phenyl-4,8-diazatricyclo[5.3.2.02,6]dodec-11-ene-3,5-dione

C24H33N3O2 — CID 125036760

IUPAC(1R,2R,6R,7S,10R)-8-[2-(diethylamino)ethyl]-10,11-dimethyl-4-phenyl-4,8-diazatricyclo[5.3.2.02,6]dodec-11-ene-3,5-dione
SMILESCCN(CC)CCN1C[C@H](C)[C@H]2C(C)=C[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12
InChIInChI=1S/C24H33N3O2/c1-5-25(6-2)12-13-26-15-17(4)20-16(3)14-19(26)21-22(20)24(29)27(23(21)28)18-10-8-7-9-11-18/h7-11,14,17,19-22H,5-6,12-13,15H2,1-4H3/t17-,19-,20+,21-,22+/m0/s1
InChIKeyYOGWHUBACZOGPE-TXZRGUEPSA-N
MW395.55 g/mol
LogP3.03
Rot. Bonds6

About (1R,2R,6R,7S,10R)-8-[2-(diethylamino)ethyl]-10,11-dimethyl-4-phenyl-4,8-diazatricyclo[5.3.2.02,6]dodec-11-ene-3,5-dione

(1R,2R,6R,7S,10R)-8-[2-(diethylamino)ethyl]-10,11-dimethyl-4-phenyl-4,8-diazatricyclo[5.3.2.02,6]dodec-11-ene-3,5-dione (PubChem CID 125036760) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is (1R,2R,6R,7S,10R)-8-[2-(diethylamino)ethyl]-10,11-dimethyl-4-phenyl-4,8-diazatricyclo[5.3.2.02,6]dodec-11-ene-3,5-dione.

Molecular Properties

Compound Name(1R,2R,6R,7S,10R)-8-[2-(diethylamino)ethyl]-10,11-dimethyl-4-phenyl-4,8-diazatricyclo[5.3.2.02,6]dodec-11-ene-3,5-dione
PubChem CID125036760
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name(1R,2R,6R,7S,10R)-8-[2-(diethylamino)ethyl]-10,11-dimethyl-4-phenyl-4,8-diazatricyclo[5.3.2.02,6]dodec-11-ene-3,5-dione
SMILESCCN(CC)CCN1C[C@H](C)[C@H]2C(C)=C[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12
InChIInChI=1S/C24H33N3O2/c1-5-25(6-2)12-13-26-15-17(4)20-16(3)14-19(26)21-22(20)24(29)27(23(21)28)18-10-8-7-9-11-18/h7-11,14,17,19-22H,5-6,12-13,15H2,1-4H3/t17-,19-,20+,21-,22+/m0/s1
InChIKeyYOGWHUBACZOGPE-TXZRGUEPSA-N
XLogP3.03
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (1R,2R,6R,7S,10R)-8-[2-(diethylamino)ethyl]-10,11-dimethyl-4-phenyl-4,8-diazatricyclo[5.3.2.02,6]dodec-11-ene-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,7S,10R)-8-[2-(diethylamino)ethyl]-10,11-dimethyl-4-phenyl-4,8-diazatricyclo[5.3.2.02,6]dodec-11-ene-3,5-dione?
The IUPAC name of (1R,2R,6R,7S,10R)-8-[2-(diethylamino)ethyl]-10,11-dimethyl-4-phenyl-4,8-diazatricyclo[5.3.2.02,6]dodec-11-ene-3,5-dione (CID 125036760) is (1R,2R,6R,7S,10R)-8-[2-(diethylamino)ethyl]-10,11-dimethyl-4-phenyl-4,8-diazatricyclo[5.3.2.02,6]dodec-11-ene-3,5-dione.
What is the SMILES notation for (1R,2R,6R,7S,10R)-8-[2-(diethylamino)ethyl]-10,11-dimethyl-4-phenyl-4,8-diazatricyclo[5.3.2.02,6]dodec-11-ene-3,5-dione?
The canonical SMILES for (1R,2R,6R,7S,10R)-8-[2-(diethylamino)ethyl]-10,11-dimethyl-4-phenyl-4,8-diazatricyclo[5.3.2.02,6]dodec-11-ene-3,5-dione is CCN(CC)CCN1C[C@H](C)[C@H]2C(C)=C[C@H]1[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12.
What is the InChIKey of (1R,2R,6R,7S,10R)-8-[2-(diethylamino)ethyl]-10,11-dimethyl-4-phenyl-4,8-diazatricyclo[5.3.2.02,6]dodec-11-ene-3,5-dione?
The InChIKey is YOGWHUBACZOGPE-TXZRGUEPSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-5-25(6-2)12-13-26-15-17(4)20-16(3)14-19(26)21-22(20)24(29)27(23(21)28)18-10-8-7-9-11-18/h7-11,14,17,19-22H,5-6,12-13,15H2,1-4H3/t17-,19-,20+,21-,22+/m0/s1.
What are the key properties of (1R,2R,6R,7S,10R)-8-[2-(diethylamino)ethyl]-10,11-dimethyl-4-phenyl-4,8-diazatricyclo[5.3.2.02,6]dodec-11-ene-3,5-dione?
(1R,2R,6R,7S,10R)-8-[2-(diethylamino)ethyl]-10,11-dimethyl-4-phenyl-4,8-diazatricyclo[5.3.2.02,6]dodec-11-ene-3,5-dione has a molecular weight of 395.55 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,7S,10R)-8-[2-(diethylamino)ethyl]-10,11-dimethyl-4-phenyl-4,8-diazatricyclo[5.3.2.02,6]dodec-11-ene-3,5-dione is sourced from PubChem (CID 125036760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).