4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide

C₁₃H₂₀N₂O₂ — CID 146634151

About 4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide

4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide (PubChem CID 146634151) has the molecular formula C₁₃H₂₀N₂O₂ and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide.

Molecular Properties

• Compound Name: 4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide
• PubChem CID: 146634151
• Molecular Formula: C₁₃H₂₀N₂O₂
• Molecular Weight: 236.31 g/mol
• Exact Mass: 236.15
• IUPAC Name: 4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide
• SMILES: CN(O)C(=O)c1ccc(CNC(C)(C)C)cc1
• InChI: InChI=1S/C13H20N2O2/c1-13(2,3)14-9-10-5-7-11(8-6-10)12(16)15(4)17/h5-8,14,17H,9H2,1-4H3
• InChIKey: XPGILFVEUGAGID-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 52.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	236.31
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide?

The IUPAC name of 4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide (CID 146634151) is 4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide.

What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide?

The canonical SMILES for 4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide is CN(O)C(=O)c1ccc(CNC(C)(C)C)cc1.

What is the InChIKey of 4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide?

The InChIKey is XPGILFVEUGAGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)14-9-10-5-7-11(8-6-10)12(16)15(4)17/h5-8,14,17H,9H2,1-4H3.

What are the key properties of 4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide?

4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide is sourced from PubChem (CID 146634151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146634151 — identifiers, structure, computed properties (public domain)

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