2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide

C₁₆H₁₆N₂O₃ — CID 6861691

About 2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide

2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide (PubChem CID 6861691) has the molecular formula C₁₆H₁₆N₂O₃ and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
• PubChem CID: 6861691
• Molecular Formula: C₁₆H₁₆N₂O₃
• Molecular Weight: 284.32 g/mol
• Exact Mass: 284.12
• IUPAC Name: 2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
• SMILES: COc1ccc(/C=N/NC(=O)c2ccccc2OC)cc1
• InChI: InChI=1S/C16H16N2O3/c1-20-13-9-7-12(8-10-13)11-17-18-16(19)14-5-3-4-6-15(14)21-2/h3-11H,1-2H3,(H,18,19)/b17-11+
• InChIKey: MWMVQXSEVKONQG-GZTJUZNOSA-N
• XLogP: 2.47
• TPSA: 59.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.32
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide?

The IUPAC name of 2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide (CID 6861691) is 2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide.

What is the SMILES notation for 2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide?

The canonical SMILES for 2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide is COc1ccc(/C=N/NC(=O)c2ccccc2OC)cc1.

What is the InChIKey of 2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide?

The InChIKey is MWMVQXSEVKONQG-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-20-13-9-7-12(8-10-13)11-17-18-16(19)14-5-3-4-6-15(14)21-2/h3-11H,1-2H3,(H,18,19)/b17-11+.

What are the key properties of 2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide?

2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 284.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6861691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6861691 — identifiers, structure, computed properties (public domain)

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