2-(tert-butylcarbamoylamino)-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide

C16H21N5O3 — CID 118723778

IUPAC2-(tert-butylcarbamoylamino)-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCC(C)(C)NC(=O)NC(C(=O)NO)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H21N5O3/c1-16(2,3)19-15(23)18-13(14(22)20-24)11-5-7-12(8-6-11)21-10-4-9-17-21/h4-10,13,24H,1-3H3,(H,20,22)(H2,18,19,23)
InChIKeyBCTKXGZXZRVSQJ-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.52
Rot. Bonds4

About 2-(tert-butylcarbamoylamino)-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide

2-(tert-butylcarbamoylamino)-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 118723778) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(tert-butylcarbamoylamino)-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(tert-butylcarbamoylamino)-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID118723778
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name2-(tert-butylcarbamoylamino)-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCC(C)(C)NC(=O)NC(C(=O)NO)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H21N5O3/c1-16(2,3)19-15(23)18-13(14(22)20-24)11-5-7-12(8-6-11)21-10-4-9-17-21/h4-10,13,24H,1-3H3,(H,20,22)(H2,18,19,23)
InChIKeyBCTKXGZXZRVSQJ-UHFFFAOYSA-N
XLogP1.52
TPSA108.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

5-(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)-2,4-imidazolidinedione
CID 660311
(5r)-5-[3-(4-Fluorophenyl)-1-Phenyl-1h-Pyrazol-4-Yl]imidazolidine-2,4-Dione
CID 948334
N-[2-(Methylamino)-2-Oxidanylidene-Ethyl]-2-(4-Pyrazol-1-Ylphenyl)-N-(1-Pyridin-2-Ylpiperidin-4-Yl)ethanamide
CID 122391195
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]-2,2-dimethylpropanamide
CID 101874839
3-amino-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 101874840
4-amino-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 101874841
tert-butyl N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]carbamate
CID 118723772
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 118723775
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 118723776
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]-2-methyl-propanamide
CID 118723777
N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 118723779
2-fluoro-N-[2-(hydroxyamino)-2-oxo-1-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 118723780

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylcarbamoylamino)-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of 2-(tert-butylcarbamoylamino)-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide (CID 118723778) is 2-(tert-butylcarbamoylamino)-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(tert-butylcarbamoylamino)-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for 2-(tert-butylcarbamoylamino)-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide is CC(C)(C)NC(=O)NC(C(=O)NO)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-(tert-butylcarbamoylamino)-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is BCTKXGZXZRVSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-16(2,3)19-15(23)18-13(14(22)20-24)11-5-7-12(8-6-11)21-10-4-9-17-21/h4-10,13,24H,1-3H3,(H,20,22)(H2,18,19,23).
What are the key properties of 2-(tert-butylcarbamoylamino)-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide?
2-(tert-butylcarbamoylamino)-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 331.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylcarbamoylamino)-N-hydroxy-2-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 118723778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).