3,5-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide

C20H20N2O2 — CID 7526524

About 3,5-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide

3,5-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide (PubChem CID 7526524) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide.

Molecular Properties

• Compound Name: 3,5-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
• PubChem CID: 7526524
• Molecular Formula: C20H20N2O2
• Molecular Weight: 320.39 g/mol
• Exact Mass: 320.15
• IUPAC Name: 3,5-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
• SMILES: Cc1cc(C)cc(C(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)c1
• InChI: InChI=1S/C20H20N2O2/c1-12-6-13(2)8-16(7-12)20(24)21-17-9-14-4-3-5-22-18(23)11-15(10-17)19(14)22/h6-10H,3-5,11H2,1-2H3,(H,21,24)
• InChIKey: ROSYBERZZOAKMB-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.39
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide?

The IUPAC name of 3,5-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide (CID 7526524) is 3,5-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide.

What is the SMILES notation for 3,5-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide?

The canonical SMILES for 3,5-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide is Cc1cc(C)cc(C(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)c1.

What is the InChIKey of 3,5-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide?

The InChIKey is ROSYBERZZOAKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-12-6-13(2)8-16(7-12)20(24)21-17-9-14-4-3-5-22-18(23)11-15(10-17)19(14)22/h6-10H,3-5,11H2,1-2H3,(H,21,24).

What are the key properties of 3,5-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide?

3,5-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide has a molecular weight of 320.39 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide is sourced from PubChem (CID 7526524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).