acetic acid;N-tert-butyl-N-hydroxybenzamide

C13H19NO4 — CID 162308139

IUPACacetic acid;N-tert-butyl-N-hydroxybenzamide
SMILESCC(=O)O.CC(C)(C)N(O)C(=O)c1ccccc1
InChIInChI=1S/C11H15NO2.C2H4O2/c1-11(2,3)12(14)10(13)9-7-5-4-6-8-9;1-2(3)4/h4-8,14H,1-3H3;1H3,(H,3,4)
InChIKeyLKIHMYCDJXQJAH-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.41
Rot. Bonds1

About acetic acid;N-tert-butyl-N-hydroxybenzamide

acetic acid;N-tert-butyl-N-hydroxybenzamide (PubChem CID 162308139) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is acetic acid;N-tert-butyl-N-hydroxybenzamide.

Molecular Properties

Compound Nameacetic acid;N-tert-butyl-N-hydroxybenzamide
PubChem CID162308139
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nameacetic acid;N-tert-butyl-N-hydroxybenzamide
SMILESCC(=O)O.CC(C)(C)N(O)C(=O)c1ccccc1
InChIInChI=1S/C11H15NO2.C2H4O2/c1-11(2,3)12(14)10(13)9-7-5-4-6-8-9;1-2(3)4/h4-8,14H,1-3H3;1H3,(H,3,4)
InChIKeyLKIHMYCDJXQJAH-UHFFFAOYSA-N
XLogP2.41
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
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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Related Compounds

N-bromo-N-tert-butylbenzamide
CID 141466989
N-acetyl-N-(2,2-dimethylpropyl)benzamide
CID 142599008
benzoyl(methyl)carbamic acid;hydrochloride
CID 70634624
acetic acid;1-phenylethanone
CID 159392478
tert-butyl benzoate
CID 135038599
N'-benzoyl-N'-tert-butyl-N-ethylbenzohydrazide
CID 19752906
N-tert-butyl-N-(4-tert-butylphenyl)benzamide
CID 517588
acetic acid;diphenylmethanone;hydrate
CID 161284686
2,2-dimethylpropane;diphenylmethanone
CID 159191976
N-[(E)-but-2-enoyl]-N-tert-butylbenzamide
CID 177468892
acetic acid;benzoic acid;ethane-1,2-diol
CID 68854704
ethane;1-phenylethanone;2,2,3,3-tetramethylbutane
CID 157312693

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-tert-butyl-N-hydroxybenzamide?
The IUPAC name of acetic acid;N-tert-butyl-N-hydroxybenzamide (CID 162308139) is acetic acid;N-tert-butyl-N-hydroxybenzamide.
What is the SMILES notation for acetic acid;N-tert-butyl-N-hydroxybenzamide?
The canonical SMILES for acetic acid;N-tert-butyl-N-hydroxybenzamide is CC(=O)O.CC(C)(C)N(O)C(=O)c1ccccc1.
What is the InChIKey of acetic acid;N-tert-butyl-N-hydroxybenzamide?
The InChIKey is LKIHMYCDJXQJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.C2H4O2/c1-11(2,3)12(14)10(13)9-7-5-4-6-8-9;1-2(3)4/h4-8,14H,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;N-tert-butyl-N-hydroxybenzamide?
acetic acid;N-tert-butyl-N-hydroxybenzamide has a molecular weight of 253.30 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-tert-butyl-N-hydroxybenzamide is sourced from PubChem (CID 162308139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).