2-[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide

C22H35N3O3 — CID 78827696

About 2-[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide

2-[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide (PubChem CID 78827696) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 2-[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

• Compound Name: 2-[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide
• PubChem CID: 78827696
• Molecular Formula: C22H35N3O3
• Molecular Weight: 389.54 g/mol
• Exact Mass: 389.27
• IUPAC Name: 2-[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide
• SMILES: CCOc1cc2c(cc1CN1CCN(CC(=O)N(CC)CC)CC1)OC(C)C2
• InChI: InChI=1S/C22H35N3O3/c1-5-25(6-2)22(26)16-24-10-8-23(9-11-24)15-19-14-21-18(12-17(4)28-21)13-20(19)27-7-3/h13-14,17H,5-12,15-16H2,1-4H3
• InChIKey: ZTHANANMFNNMDE-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 45.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.54
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide?

The IUPAC name of 2-[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide (CID 78827696) is 2-[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide.

What is the SMILES notation for 2-[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide?

The canonical SMILES for 2-[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide is CCOc1cc2c(cc1CN1CCN(CC(=O)N(CC)CC)CC1)OC(C)C2.

What is the InChIKey of 2-[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide?

The InChIKey is ZTHANANMFNNMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-5-25(6-2)22(26)16-24-10-8-23(9-11-24)15-19-14-21-18(12-17(4)28-21)13-20(19)27-7-3/h13-14,17H,5-12,15-16H2,1-4H3.

What are the key properties of 2-[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide?

2-[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 389.54 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 78827696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).