N-tert-butyl-N-hydroxybenzamide

C11H15NO2 — CID 10535782

IUPACN-tert-butyl-N-hydroxybenzamide
SMILESCC(C)(C)N(O)C(=O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-11(2,3)12(14)10(13)9-7-5-4-6-8-9/h4-8,14H,1-3H3
InChIKeyCRKDRSMVZRDGQU-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.32
Rot. Bonds1

About N-tert-butyl-N-hydroxybenzamide

N-tert-butyl-N-hydroxybenzamide (PubChem CID 10535782) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-tert-butyl-N-hydroxybenzamide.

Molecular Properties

Compound NameN-tert-butyl-N-hydroxybenzamide
PubChem CID10535782
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-tert-butyl-N-hydroxybenzamide
SMILESCC(C)(C)N(O)C(=O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-11(2,3)12(14)10(13)9-7-5-4-6-8-9/h4-8,14H,1-3H3
InChIKeyCRKDRSMVZRDGQU-UHFFFAOYSA-N
XLogP2.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-tert-butyl-N-hydroxybenzamide?
The IUPAC name of N-tert-butyl-N-hydroxybenzamide (CID 10535782) is N-tert-butyl-N-hydroxybenzamide.
What is the SMILES notation for N-tert-butyl-N-hydroxybenzamide?
The canonical SMILES for N-tert-butyl-N-hydroxybenzamide is CC(C)(C)N(O)C(=O)c1ccccc1.
What is the InChIKey of N-tert-butyl-N-hydroxybenzamide?
The InChIKey is CRKDRSMVZRDGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2,3)12(14)10(13)9-7-5-4-6-8-9/h4-8,14H,1-3H3.
What are the key properties of N-tert-butyl-N-hydroxybenzamide?
N-tert-butyl-N-hydroxybenzamide has a molecular weight of 193.25 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-hydroxybenzamide is sourced from PubChem (CID 10535782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).