ethyl 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate

C16H23NO4 — CID 60788248

About ethyl 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate

ethyl 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate (PubChem CID 60788248) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate.

Molecular Properties

• Compound Name: ethyl 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate
• PubChem CID: 60788248
• Molecular Formula: C16H23NO4
• Molecular Weight: 293.36 g/mol
• Exact Mass: 293.16
• IUPAC Name: ethyl 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate
• SMILES: CCOC(=O)C(NC)c1cc2c(cc1OCC)CC(C)O2
• InChI: InChI=1S/C16H23NO4/c1-5-19-14-8-11-7-10(3)21-13(11)9-12(14)15(17-4)16(18)20-6-2/h8-10,15,17H,5-7H2,1-4H3
• InChIKey: YDZSOXXLZVUTQT-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.36
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate?

The IUPAC name of ethyl 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate (CID 60788248) is ethyl 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate.

What is the SMILES notation for ethyl 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate?

The canonical SMILES for ethyl 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate is CCOC(=O)C(NC)c1cc2c(cc1OCC)CC(C)O2.

What is the InChIKey of ethyl 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate?

The InChIKey is YDZSOXXLZVUTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-19-14-8-11-7-10(3)21-13(11)9-12(14)15(17-4)16(18)20-6-2/h8-10,15,17H,5-7H2,1-4H3.

What are the key properties of ethyl 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate?

ethyl 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate has a molecular weight of 293.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(methylamino)acetate is sourced from PubChem (CID 60788248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).