2-ethoxy-N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide

C23H28N2O5 — CID 9398889

About 2-ethoxy-N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide

2-ethoxy-N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide (PubChem CID 9398889) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 2-ethoxy-N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide
• PubChem CID: 9398889
• Molecular Formula: C23H28N2O5
• Molecular Weight: 412.49 g/mol
• Exact Mass: 412.20
• IUPAC Name: 2-ethoxy-N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide
• SMILES: CCOc1cc2c(cc1CNC(=O)CNC(=O)c1ccccc1OCC)O[C@@H](C)C2
• InChI: InChI=1S/C23H28N2O5/c1-4-28-19-9-7-6-8-18(19)23(27)25-14-22(26)24-13-17-12-21-16(10-15(3)30-21)11-20(17)29-5-2/h6-9,11-12,15H,4-5,10,13-14H2,1-3H3,(H,24,26)(H,25,27)/t15-/m0/s1
• InChIKey: TYHQMYOMEJLILK-HNNXBMFYSA-N
• XLogP: 2.85
• TPSA: 85.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.49
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-ethoxy-N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide (CID 9398889) is 2-ethoxy-N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide.

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

The canonical SMILES for 2-ethoxy-N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide is CCOc1cc2c(cc1CNC(=O)CNC(=O)c1ccccc1OCC)O[C@@H](C)C2.

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

The InChIKey is TYHQMYOMEJLILK-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-4-28-19-9-7-6-8-18(19)23(27)25-14-22(26)24-13-17-12-21-16(10-15(3)30-21)11-20(17)29-5-2/h6-9,11-12,15H,4-5,10,13-14H2,1-3H3,(H,24,26)(H,25,27)/t15-/m0/s1.

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

2-ethoxy-N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide has a molecular weight of 412.49 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 9398889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).