4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide

C₂₂H₂₈N₂O₃ — CID 4930158

About 4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide

4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide (PubChem CID 4930158) has the molecular formula C₂₂H₂₈N₂O₃ and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide.

Molecular Properties

• Compound Name: 4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
• PubChem CID: 4930158
• Molecular Formula: C₂₂H₂₈N₂O₃
• Molecular Weight: 368.48 g/mol
• Exact Mass: 368.21
• IUPAC Name: 4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
• SMILES: CC(C)COc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1
• InChI: InChI=1S/C22H28N2O3/c1-15(2)14-27-19-12-8-17(9-13-19)21(26)24-23-20(25)16-6-10-18(11-7-16)22(3,4)5/h6-13,15H,14H2,1-5H3,(H,23,25)(H,24,26)
• InChIKey: RCRAMWJHXUJVDC-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 67.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.48
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide?

The IUPAC name of 4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide (CID 4930158) is 4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide.

What is the SMILES notation for 4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide?

The canonical SMILES for 4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide is CC(C)COc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1.

What is the InChIKey of 4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide?

The InChIKey is RCRAMWJHXUJVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15(2)14-27-19-12-8-17(9-13-19)21(26)24-23-20(25)16-6-10-18(11-7-16)22(3,4)5/h6-13,15H,14H2,1-5H3,(H,23,25)(H,24,26).

What are the key properties of 4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide?

4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide has a molecular weight of 368.48 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 4930158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4930158 — identifiers, structure, computed properties (public domain)

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