2-[4-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide

C22H30N8O5 — CID 126207135

About 2-[4-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide

2-[4-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide (PubChem CID 126207135) has the molecular formula C22H30N8O5 and a molecular weight of 486.53 g/mol. Its IUPAC name is 2-[4-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide.

Molecular Properties

• Compound Name: 2-[4-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide
• PubChem CID: 126207135
• Molecular Formula: C22H30N8O5
• Molecular Weight: 486.53 g/mol
• Exact Mass: 486.23
• IUPAC Name: 2-[4-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide
• SMILES: CCOc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OCC(N)=O
• InChI: InChI=1S/C22H30N8O5/c1-2-34-18-13-16(3-4-17(18)35-15-19(23)31)14-24-28-20-25-21(29-5-9-32-10-6-29)27-22(26-20)30-7-11-33-12-8-30/h3-4,13-14H,2,5-12,15H2,1H3,(H2,23,31)(H,25,26,27,28)/b24-14+
• InChIKey: KINMCMLCAHEVDF-ZVHZXABRSA-N
• XLogP: 0.25
• TPSA: 149.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.53
LogP ≤ 5	0.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide?

The IUPAC name of 2-[4-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide (CID 126207135) is 2-[4-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide.

What is the SMILES notation for 2-[4-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide?

The canonical SMILES for 2-[4-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide is CCOc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OCC(N)=O.

What is the InChIKey of 2-[4-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide?

The InChIKey is KINMCMLCAHEVDF-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H30N8O5/c1-2-34-18-13-16(3-4-17(18)35-15-19(23)31)14-24-28-20-25-21(29-5-9-32-10-6-29)27-22(26-20)30-7-11-33-12-8-30/h3-4,13-14H,2,5-12,15H2,1H3,(H2,23,31)(H,25,26,27,28)/b24-14+.

What are the key properties of 2-[4-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide?

2-[4-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide has a molecular weight of 486.53 g/mol, XLogP of 0.25, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide is sourced from PubChem (CID 126207135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).