N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide

C₁₆H₁₈N₂O₃ — CID 6266401

About N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide

N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide (PubChem CID 6266401) has the molecular formula C₁₆H₁₈N₂O₃ and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide
• PubChem CID: 6266401
• Molecular Formula: C₁₆H₁₈N₂O₃
• Molecular Weight: 286.33 g/mol
• Exact Mass: 286.13
• IUPAC Name: N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide
• SMILES: Cc1ccc(/C=N\NC(=O)c2ccccc2OC(C)C)o1
• InChI: InChI=1S/C16H18N2O3/c1-11(2)20-15-7-5-4-6-14(15)16(19)18-17-10-13-9-8-12(3)21-13/h4-11H,1-3H3,(H,18,19)/b17-10-
• InChIKey: IHNQAHJPXIMISN-YVLHZVERSA-N
• XLogP: 3.14
• TPSA: 63.83 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	286.33
LogP ≤ 5	3.14
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 N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide?

The IUPAC name of N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide (CID 6266401) is N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide.

What is the SMILES notation for N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide?

The canonical SMILES for N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide is Cc1ccc(/C=N\NC(=O)c2ccccc2OC(C)C)o1.

What is the InChIKey of N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide?

The InChIKey is IHNQAHJPXIMISN-YVLHZVERSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(2)20-15-7-5-4-6-14(15)16(19)18-17-10-13-9-8-12(3)21-13/h4-11H,1-3H3,(H,18,19)/b17-10-.

What are the key properties of N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide?

N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide has a molecular weight of 286.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 6266401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6266401 — identifiers, structure, computed properties (public domain)

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