4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide

C13H20N2O2 — CID 146634151

IUPAC4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide
SMILESCN(O)C(=O)c1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)14-9-10-5-7-11(8-6-10)12(16)15(4)17/h5-8,14,17H,9H2,1-4H3
InChIKeyXPGILFVEUGAGID-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.04
Rot. Bonds3

About 4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide

4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide (PubChem CID 146634151) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide
PubChem CID146634151
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide
SMILESCN(O)C(=O)c1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)14-9-10-5-7-11(8-6-10)12(16)15(4)17/h5-8,14,17H,9H2,1-4H3
InChIKeyXPGILFVEUGAGID-UHFFFAOYSA-N
XLogP2.04
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.04
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-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
4-[(tert-butylamino)methyl]-N-[4-(dipropylamino)butyl]benzamide
CID 141125970
N,N-dimethyl-4-(methylaminomethyl)benzamide
CID 155590632
4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]benzoic acid;hydrochloride
CID 17157155
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]thiohydroxylamine
CID 155479405
2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine
CID 59597807
2-[4-[(tert-butylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 63062524
4-[[(N-tert-butyl-N'-methylcarbamimidoyl)amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 110967135
N-hydroxy-N-methyl-4-(trifluoromethyl)benzamide
CID 10420962
2-[4-[(tert-butylamino)methyl]-N-ethylanilino]acetamide
CID 103103191
3-[4-[(tert-butylamino)methyl]phenyl]-2,3-dihydroxypropanoic acid
CID 170824867
4-[(tert-butylamino)methyl]-N,N-diethylaniline
CID 4719207

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide (CID 146634151) is 4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide is CN(O)C(=O)c1ccc(CNC(C)(C)C)cc1.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide?
The InChIKey is XPGILFVEUGAGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)14-9-10-5-7-11(8-6-10)12(16)15(4)17/h5-8,14,17H,9H2,1-4H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide?
4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N-hydroxy-N-methylbenzamide is sourced from PubChem (CID 146634151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).