2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide

C22H20N2O6 — CID 71826016

About 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide

2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide (PubChem CID 71826016) has the molecular formula C22H20N2O6 and a molecular weight of 408.41 g/mol. Its IUPAC name is 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide.

Molecular Properties

• Compound Name: 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide
• PubChem CID: 71826016
• Molecular Formula: C22H20N2O6
• Molecular Weight: 408.41 g/mol
• Exact Mass: 408.13
• IUPAC Name: 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide
• SMILES: COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1ccc3c(c1)COC3=O)C=C2
• InChI: InChI=1S/C22H20N2O6/c1-28-18-8-13-5-6-24(21(26)10-14(13)9-19(18)29-2)11-20(25)23-16-3-4-17-15(7-16)12-30-22(17)27/h3-9H,10-12H2,1-2H3,(H,23,25)
• InChIKey: JREJPLMPAOUKKM-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 94.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.41
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide?

The IUPAC name of 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide (CID 71826016) is 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide.

What is the SMILES notation for 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide?

The canonical SMILES for 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide is COc1cc2c(cc1OC)CC(=O)N(CC(=O)Nc1ccc3c(c1)COC3=O)C=C2.

What is the InChIKey of 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide?

The InChIKey is JREJPLMPAOUKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6/c1-28-18-8-13-5-6-24(21(26)10-14(13)9-19(18)29-2)11-20(25)23-16-3-4-17-15(7-16)12-30-22(17)27/h3-9H,10-12H2,1-2H3,(H,23,25).

What are the key properties of 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide?

2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide has a molecular weight of 408.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide is sourced from PubChem (CID 71826016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).