2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]acetamide

C21H22N4O4 — CID 91818515

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]acetamide (PubChem CID 91818515) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]acetamide
• PubChem CID: 91818515
• Molecular Formula: C21H22N4O4
• Molecular Weight: 394.43 g/mol
• Exact Mass: 394.16
• IUPAC Name: 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]acetamide
• SMILES: CC1(C)Cc2cccc(OCC(=O)NCCn3nnc4ccccc4c3=O)c2O1
• InChI: InChI=1S/C21H22N4O4/c1-21(2)12-14-6-5-9-17(19(14)29-21)28-13-18(26)22-10-11-25-20(27)15-7-3-4-8-16(15)23-24-25/h3-9H,10-13H2,1-2H3,(H,22,26)
• InChIKey: WZLSAFQCIFJBPN-UHFFFAOYSA-N
• XLogP: 1.70
• TPSA: 95.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.43
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]acetamide?

The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]acetamide (CID 91818515) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]acetamide.

What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]acetamide?

The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]acetamide is CC1(C)Cc2cccc(OCC(=O)NCCn3nnc4ccccc4c3=O)c2O1.

What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]acetamide?

The InChIKey is WZLSAFQCIFJBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-21(2)12-14-6-5-9-17(19(14)29-21)28-13-18(26)22-10-11-25-20(27)15-7-3-4-8-16(15)23-24-25/h3-9H,10-13H2,1-2H3,(H,22,26).

What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]acetamide?

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]acetamide has a molecular weight of 394.43 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]acetamide is sourced from PubChem (CID 91818515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).