N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide

C23H21N3O5 — CID 42892395

About N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide (PubChem CID 42892395) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide.

Molecular Properties

• Compound Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
• PubChem CID: 42892395
• Molecular Formula: C23H21N3O5
• Molecular Weight: 419.44 g/mol
• Exact Mass: 419.15
• IUPAC Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
• SMILES: CCOc1cc2c(cc1NC(=O)Cn1cnc3c(oc4ccccc43)c1=O)OC(C)C2
• InChI: InChI=1S/C23H21N3O5/c1-3-29-19-9-14-8-13(2)30-18(14)10-16(19)25-20(27)11-26-12-24-21-15-6-4-5-7-17(15)31-22(21)23(26)28/h4-7,9-10,12-13H,3,8,11H2,1-2H3,(H,25,27)
• InChIKey: OJBCCGBXAVTVPB-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 95.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.44
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?

The IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide (CID 42892395) is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide.

What is the SMILES notation for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?

The canonical SMILES for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is CCOc1cc2c(cc1NC(=O)Cn1cnc3c(oc4ccccc43)c1=O)OC(C)C2.

What is the InChIKey of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?

The InChIKey is OJBCCGBXAVTVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-3-29-19-9-14-8-13(2)30-18(14)10-16(19)25-20(27)11-26-12-24-21-15-6-4-5-7-17(15)31-22(21)23(26)28/h4-7,9-10,12-13H,3,8,11H2,1-2H3,(H,25,27).

What are the key properties of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide?

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide has a molecular weight of 419.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 42892395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).