1,2,3,5,5,10,10,12-octamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone

C18H26N2O4 — CID 5249439

IUPAC1,2,3,5,5,10,10,12-octamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone
SMILESCN1C(=O)C(C)(C)C(=O)C2C3C(=O)C(C)(C)C(=O)N(C)C3(C)C21C
InChIInChI=1S/C18H26N2O4/c1-15(2)11(21)9-10-12(22)16(3,4)14(24)20(8)18(10,6)17(9,5)19(7)13(15)23/h9-10H,1-8H3
InChIKeyRYKXKUUQYJTJRV-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.88
Rot. Bonds

About 1,2,3,5,5,10,10,12-octamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone

1,2,3,5,5,10,10,12-octamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone (PubChem CID 5249439) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1,2,3,5,5,10,10,12-octamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone.

Molecular Properties

Compound Name1,2,3,5,5,10,10,12-octamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone
PubChem CID5249439
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name1,2,3,5,5,10,10,12-octamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone
SMILESCN1C(=O)C(C)(C)C(=O)C2C3C(=O)C(C)(C)C(=O)N(C)C3(C)C21C
InChIInChI=1S/C18H26N2O4/c1-15(2)11(21)9-10-12(22)16(3,4)14(24)20(8)18(10,6)17(9,5)19(7)13(15)23/h9-10H,1-8H3
InChIKeyRYKXKUUQYJTJRV-UHFFFAOYSA-N
XLogP0.88
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1,2,3,5,5,10,10,12-octamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone 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 1,2,3,5,5,10,10,12-octamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone?
The IUPAC name of 1,2,3,5,5,10,10,12-octamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone (CID 5249439) is 1,2,3,5,5,10,10,12-octamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone.
What is the SMILES notation for 1,2,3,5,5,10,10,12-octamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone?
The canonical SMILES for 1,2,3,5,5,10,10,12-octamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone is CN1C(=O)C(C)(C)C(=O)C2C3C(=O)C(C)(C)C(=O)N(C)C3(C)C21C.
What is the InChIKey of 1,2,3,5,5,10,10,12-octamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone?
The InChIKey is RYKXKUUQYJTJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-15(2)11(21)9-10-12(22)16(3,4)14(24)20(8)18(10,6)17(9,5)19(7)13(15)23/h9-10H,1-8H3.
What are the key properties of 1,2,3,5,5,10,10,12-octamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone?
1,2,3,5,5,10,10,12-octamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone has a molecular weight of 334.42 g/mol, XLogP of 0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,5,10,10,12-octamethyl-3,12-diazatricyclo[6.4.0.02,7]dodecane-4,6,9,11-tetrone is sourced from PubChem (CID 5249439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).