(2E)-2-[2-[[3,5-dichloro-4-[2-(2-ethoxyethoxy)ethoxy]phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide

C23H28Cl2N2O6 — CID 87774025

About (2E)-2-[2-[[3,5-dichloro-4-[2-(2-ethoxyethoxy)ethoxy]phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide

(2E)-2-[2-[[3,5-dichloro-4-[2-(2-ethoxyethoxy)ethoxy]phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 87774025) has the molecular formula C23H28Cl2N2O6 and a molecular weight of 499.39 g/mol. Its IUPAC name is (2E)-2-[2-[[3,5-dichloro-4-[2-(2-ethoxyethoxy)ethoxy]phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

• Compound Name: (2E)-2-[2-[[3,5-dichloro-4-[2-(2-ethoxyethoxy)ethoxy]phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide
• PubChem CID: 87774025
• Molecular Formula: C23H28Cl2N2O6
• Molecular Weight: 499.39 g/mol
• Exact Mass: 498.13
• IUPAC Name: (2E)-2-[2-[[3,5-dichloro-4-[2-(2-ethoxyethoxy)ethoxy]phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide
• SMILES: CCOCCOCCOc1c(Cl)cc(OCc2ccccc2/C(=N\OC)C(=O)NC)cc1Cl
• InChI: InChI=1S/C23H28Cl2N2O6/c1-4-30-9-10-31-11-12-32-22-19(24)13-17(14-20(22)25)33-15-16-7-5-6-8-18(16)21(27-29-3)23(28)26-2/h5-8,13-14H,4,9-12,15H2,1-3H3,(H,26,28)/b27-21+
• InChIKey: SFYSOXZBBOTTQS-SZXQPVLSSA-N
• XLogP: 4.10
• TPSA: 87.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.39
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (2E)-2-[2-[[3,5-dichloro-4-[2-(2-ethoxyethoxy)ethoxy]phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide?

The IUPAC name of (2E)-2-[2-[[3,5-dichloro-4-[2-(2-ethoxyethoxy)ethoxy]phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide (CID 87774025) is (2E)-2-[2-[[3,5-dichloro-4-[2-(2-ethoxyethoxy)ethoxy]phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide.

What is the SMILES notation for (2E)-2-[2-[[3,5-dichloro-4-[2-(2-ethoxyethoxy)ethoxy]phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide?

The canonical SMILES for (2E)-2-[2-[[3,5-dichloro-4-[2-(2-ethoxyethoxy)ethoxy]phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide is CCOCCOCCOc1c(Cl)cc(OCc2ccccc2/C(=N\OC)C(=O)NC)cc1Cl.

What is the InChIKey of (2E)-2-[2-[[3,5-dichloro-4-[2-(2-ethoxyethoxy)ethoxy]phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide?

The InChIKey is SFYSOXZBBOTTQS-SZXQPVLSSA-N. The full InChI is InChI=1S/C23H28Cl2N2O6/c1-4-30-9-10-31-11-12-32-22-19(24)13-17(14-20(22)25)33-15-16-7-5-6-8-18(16)21(27-29-3)23(28)26-2/h5-8,13-14H,4,9-12,15H2,1-3H3,(H,26,28)/b27-21+.

What are the key properties of (2E)-2-[2-[[3,5-dichloro-4-[2-(2-ethoxyethoxy)ethoxy]phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide?

(2E)-2-[2-[[3,5-dichloro-4-[2-(2-ethoxyethoxy)ethoxy]phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 499.39 g/mol, XLogP of 4.10, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-[2-[[3,5-dichloro-4-[2-(2-ethoxyethoxy)ethoxy]phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 87774025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).