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

C20H20N2O2 — CID 7526625

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

3-methyl-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide (PubChem CID 7526625) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-methyl-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide.

Molecular Properties

• Compound Name: 3-methyl-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide
• PubChem CID: 7526625
• Molecular Formula: C20H20N2O2
• Molecular Weight: 320.39 g/mol
• Exact Mass: 320.15
• IUPAC Name: 3-methyl-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide
• SMILES: Cc1cccc(C(=O)Nc2cc3c4c(c2)[C@@H](C)C(=O)N4CCC3)c1
• InChI: InChI=1S/C20H20N2O2/c1-12-5-3-6-15(9-12)19(23)21-16-10-14-7-4-8-22-18(14)17(11-16)13(2)20(22)24/h3,5-6,9-11,13H,4,7-8H2,1-2H3,(H,21,23)/t13-/m1/s1
• InChIKey: NYEPBXUZYIEMCG-CYBMUJFWSA-N
• XLogP: 3.64
• 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	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 3-methyl-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide (CID 7526625) is 3-methyl-N-[(3R)-3-methyl-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-methyl-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide?

The canonical SMILES for 3-methyl-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide is Cc1cccc(C(=O)Nc2cc3c4c(c2)[C@@H](C)C(=O)N4CCC3)c1.

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

The InChIKey is NYEPBXUZYIEMCG-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-12-5-3-6-15(9-12)19(23)21-16-10-14-7-4-8-22-18(14)17(11-16)13(2)20(22)24/h3,5-6,9-11,13H,4,7-8H2,1-2H3,(H,21,23)/t13-/m1/s1.

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

3-methyl-N-[(3R)-3-methyl-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 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide is sourced from PubChem (CID 7526625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).