N-hydroxy-2-propan-2-ylbenzamide

C10H13NO2 — CID 147875920

IUPACN-hydroxy-2-propan-2-ylbenzamide
SMILESCC(C)c1ccccc1C(=O)NO
InChIInChI=1S/C10H13NO2/c1-7(2)8-5-3-4-6-9(8)10(12)11-13/h3-7,13H,1-2H3,(H,11,12)
InChIKeyHZNJPSPTBWSFCR-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.93
Rot. Bonds2

About N-hydroxy-2-propan-2-ylbenzamide

N-hydroxy-2-propan-2-ylbenzamide (PubChem CID 147875920) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is N-hydroxy-2-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-hydroxy-2-propan-2-ylbenzamide
PubChem CID147875920
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC NameN-hydroxy-2-propan-2-ylbenzamide
SMILESCC(C)c1ccccc1C(=O)NO
InChIInChI=1S/C10H13NO2/c1-7(2)8-5-3-4-6-9(8)10(12)11-13/h3-7,13H,1-2H3,(H,11,12)
InChIKeyHZNJPSPTBWSFCR-UHFFFAOYSA-N
XLogP1.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.93
H-Bond Donors ≤ 52
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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Related Compounds

N,2-di(propan-2-yl)benzamide
CID 14972595
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637
N,2-dihydroxybenzamide;ethane
CID 91440405
N-[2,6-di(propan-2-yl)phenyl]-2-hydroxybenzamide
CID 121296745
N-hydroxy-2-(2-propan-2-ylphenyl)acetamide
CID 142619078
N-(oxan-4-yl)-2-propan-2-ylbenzamide
CID 177167403
2-iodo-N-(2-propan-2-ylphenyl)benzamide
CID 615900
methyl 2-[(1S)-1-aminoethyl]benzoate
CID 130987830
cyclopropyl-(2-propan-2-ylphenyl)methanone
CID 53437883
N-hydroxy-2-methylsulfonylbenzamide
CID 20613410
2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
[2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate
CID 117064047

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-propan-2-ylbenzamide?
The IUPAC name of N-hydroxy-2-propan-2-ylbenzamide (CID 147875920) is N-hydroxy-2-propan-2-ylbenzamide.
What is the SMILES notation for N-hydroxy-2-propan-2-ylbenzamide?
The canonical SMILES for N-hydroxy-2-propan-2-ylbenzamide is CC(C)c1ccccc1C(=O)NO.
What is the InChIKey of N-hydroxy-2-propan-2-ylbenzamide?
The InChIKey is HZNJPSPTBWSFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7(2)8-5-3-4-6-9(8)10(12)11-13/h3-7,13H,1-2H3,(H,11,12).
What are the key properties of N-hydroxy-2-propan-2-ylbenzamide?
N-hydroxy-2-propan-2-ylbenzamide has a molecular weight of 179.22 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-propan-2-ylbenzamide is sourced from PubChem (CID 147875920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).