4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline

C₁₇H₁₉N₃O₂ — CID 154979794

About 4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline

4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline (PubChem CID 154979794) has the molecular formula C₁₇H₁₉N₃O₂ and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline.

Molecular Properties

• Compound Name: 4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
• PubChem CID: 154979794
• Molecular Formula: C₁₇H₁₉N₃O₂
• Molecular Weight: 297.36 g/mol
• Exact Mass: 297.15
• IUPAC Name: 4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline
• SMILES: CNc1ccc(/C=N/N=C/c2cc(OC)cc(OC)c2)cc1
• InChI: InChI=1S/C17H19N3O2/c1-18-15-6-4-13(5-7-15)11-19-20-12-14-8-16(21-2)10-17(9-14)22-3/h4-12,18H,1-3H3/b19-11+,20-12+
• InChIKey: BDVCZCBRHVCBBY-AYKLPDECSA-N
• XLogP: 3.20
• TPSA: 55.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	297.36
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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 4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline?

The IUPAC name of 4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline (CID 154979794) is 4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline.

What is the SMILES notation for 4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline?

The canonical SMILES for 4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline is CNc1ccc(/C=N/N=C/c2cc(OC)cc(OC)c2)cc1.

What is the InChIKey of 4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline?

The InChIKey is BDVCZCBRHVCBBY-AYKLPDECSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-18-15-6-4-13(5-7-15)11-19-20-12-14-8-16(21-2)10-17(9-14)22-3/h4-12,18H,1-3H3/b19-11+,20-12+.

What are the key properties of 4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline?

4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline has a molecular weight of 297.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-[(E)-(3,5-dimethoxyphenyl)methylidenehydrazinylidene]methyl]-N-methylaniline is sourced from PubChem (CID 154979794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154979794 — identifiers, structure, computed properties (public domain)

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