N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C22H23N3O4 — CID 55477803

About N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 55477803) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

• Compound Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
• PubChem CID: 55477803
• Molecular Formula: C22H23N3O4
• Molecular Weight: 393.44 g/mol
• Exact Mass: 393.17
• IUPAC Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
• SMILES: CCOc1cc2c(cc1NC(=O)Cn1nc(C)c3ccccc3c1=O)OC(C)C2
• InChI: InChI=1S/C22H23N3O4/c1-4-28-20-10-15-9-13(2)29-19(15)11-18(20)23-21(26)12-25-22(27)17-8-6-5-7-16(17)14(3)24-25/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,23,26)
• InChIKey: LXRIGWRBWSZEEF-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 82.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.44
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?

The IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 55477803) is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

What is the SMILES notation for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?

The canonical SMILES for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is CCOc1cc2c(cc1NC(=O)Cn1nc(C)c3ccccc3c1=O)OC(C)C2.

What is the InChIKey of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?

The InChIKey is LXRIGWRBWSZEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-4-28-20-10-15-9-13(2)29-19(15)11-18(20)23-21(26)12-25-22(27)17-8-6-5-7-16(17)14(3)24-25/h5-8,10-11,13H,4,9,12H2,1-3H3,(H,23,26).

What are the key properties of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 393.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 55477803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).