N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C25H26N2O4 — CID 55462433

About N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 55462433) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

• Compound Name: N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
• PubChem CID: 55462433
• Molecular Formula: C25H26N2O4
• Molecular Weight: 418.49 g/mol
• Exact Mass: 418.19
• IUPAC Name: N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
• SMILES: CCOc1cc2c(cc1NC(=O)CNC(=O)Cc1cccc3ccccc13)OC(C)C2
• InChI: InChI=1S/C25H26N2O4/c1-3-30-23-12-19-11-16(2)31-22(19)14-21(23)27-25(29)15-26-24(28)13-18-9-6-8-17-7-4-5-10-20(17)18/h4-10,12,14,16H,3,11,13,15H2,1-2H3,(H,26,28)(H,27,29)
• InChIKey: PZLIQJDXGCBYES-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.49
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?

The IUPAC name of N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 55462433) is N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

What is the SMILES notation for N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?

The canonical SMILES for N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is CCOc1cc2c(cc1NC(=O)CNC(=O)Cc1cccc3ccccc13)OC(C)C2.

What is the InChIKey of N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?

The InChIKey is PZLIQJDXGCBYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-3-30-23-12-19-11-16(2)31-22(19)14-21(23)27-25(29)15-26-24(28)13-18-9-6-8-17-7-4-5-10-20(17)18/h4-10,12,14,16H,3,11,13,15H2,1-2H3,(H,26,28)(H,27,29).

What are the key properties of N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?

N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 418.49 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 55462433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).