4-tert-butyl-N-[4-(hydroxycarbamoyl)phenyl]benzamide

C18H20N2O3 — CID 11688197

IUPAC4-tert-butyl-N-[4-(hydroxycarbamoyl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-18(2,3)14-8-4-12(5-9-14)16(21)19-15-10-6-13(7-11-15)17(22)20-23/h4-11,23H,1-3H3,(H,19,21)(H,20,22)
InChIKeyFMOQHLZNJFXULZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.36
Rot. Bonds3

About 4-tert-butyl-N-[4-(hydroxycarbamoyl)phenyl]benzamide

4-tert-butyl-N-[4-(hydroxycarbamoyl)phenyl]benzamide (PubChem CID 11688197) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(hydroxycarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(hydroxycarbamoyl)phenyl]benzamide
PubChem CID11688197
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-tert-butyl-N-[4-(hydroxycarbamoyl)phenyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-18(2,3)14-8-4-12(5-9-14)16(21)19-15-10-6-13(7-11-15)17(22)20-23/h4-11,23H,1-3H3,(H,19,21)(H,20,22)
InChIKeyFMOQHLZNJFXULZ-UHFFFAOYSA-N
XLogP3.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(hydroxycarbamoyl)phenyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-(hydroxycarbamoyl)phenyl]benzamide (CID 11688197) is 4-tert-butyl-N-[4-(hydroxycarbamoyl)phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(hydroxycarbamoyl)phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-(hydroxycarbamoyl)phenyl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NO)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-(hydroxycarbamoyl)phenyl]benzamide?
The InChIKey is FMOQHLZNJFXULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-18(2,3)14-8-4-12(5-9-14)16(21)19-15-10-6-13(7-11-15)17(22)20-23/h4-11,23H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 4-tert-butyl-N-[4-(hydroxycarbamoyl)phenyl]benzamide?
4-tert-butyl-N-[4-(hydroxycarbamoyl)phenyl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(hydroxycarbamoyl)phenyl]benzamide is sourced from PubChem (CID 11688197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).