4-[2-(4-tert-butyl-N-formylanilino)ethoxy]-N-hydroxybenzamide

C20H24N2O4 — CID 87985831

IUPAC4-[2-(4-tert-butyl-N-formylanilino)ethoxy]-N-hydroxybenzamide
SMILESCC(C)(C)c1ccc(N(C=O)CCOc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)16-6-8-17(9-7-16)22(14-23)12-13-26-18-10-4-15(5-11-18)19(24)21-25/h4-11,14,25H,12-13H2,1-3H3,(H,21,24)
InChIKeyUIOZEDCRIVRPFC-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.14
Rot. Bonds7

About 4-[2-(4-tert-butyl-N-formylanilino)ethoxy]-N-hydroxybenzamide

4-[2-(4-tert-butyl-N-formylanilino)ethoxy]-N-hydroxybenzamide (PubChem CID 87985831) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 4-[2-(4-tert-butyl-N-formylanilino)ethoxy]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[2-(4-tert-butyl-N-formylanilino)ethoxy]-N-hydroxybenzamide
PubChem CID87985831
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name4-[2-(4-tert-butyl-N-formylanilino)ethoxy]-N-hydroxybenzamide
SMILESCC(C)(C)c1ccc(N(C=O)CCOc2ccc(C(=O)NO)cc2)cc1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)16-6-8-17(9-7-16)22(14-23)12-13-26-18-10-4-15(5-11-18)19(24)21-25/h4-11,14,25H,12-13H2,1-3H3,(H,21,24)
InChIKeyUIOZEDCRIVRPFC-UHFFFAOYSA-N
XLogP3.14
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-[2-(methylamino)ethoxy]benzamide
CID 87613285
4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136995
4-tert-butyl-N'-[4-(2-ethoxyethoxy)benzoyl]benzohydrazide
CID 17112795
4-tert-butyl-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 14698589
N-hydroxy-4-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]benzamide
CID 162770755
4-[3-(4-tert-butylanilino)propoxy]benzoic acid
CID 14882817
4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide
CID 119271557
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
4-[2-(dimethylamino)ethoxy]-N-ethylbenzamide
CID 110465146
1-[3-(4-tert-butylphenoxy)propyl]-3-[2-(diethylamino)ethyl]urea
CID 108882809
4-bromo-N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 18272580
3-[2-(4-tert-butylphenoxy)ethyl]-1-(2-methoxyethyl)-1-methylurea
CID 60545386

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butyl-N-formylanilino)ethoxy]-N-hydroxybenzamide?
The IUPAC name of 4-[2-(4-tert-butyl-N-formylanilino)ethoxy]-N-hydroxybenzamide (CID 87985831) is 4-[2-(4-tert-butyl-N-formylanilino)ethoxy]-N-hydroxybenzamide.
What is the SMILES notation for 4-[2-(4-tert-butyl-N-formylanilino)ethoxy]-N-hydroxybenzamide?
The canonical SMILES for 4-[2-(4-tert-butyl-N-formylanilino)ethoxy]-N-hydroxybenzamide is CC(C)(C)c1ccc(N(C=O)CCOc2ccc(C(=O)NO)cc2)cc1.
What is the InChIKey of 4-[2-(4-tert-butyl-N-formylanilino)ethoxy]-N-hydroxybenzamide?
The InChIKey is UIOZEDCRIVRPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-20(2,3)16-6-8-17(9-7-16)22(14-23)12-13-26-18-10-4-15(5-11-18)19(24)21-25/h4-11,14,25H,12-13H2,1-3H3,(H,21,24).
What are the key properties of 4-[2-(4-tert-butyl-N-formylanilino)ethoxy]-N-hydroxybenzamide?
4-[2-(4-tert-butyl-N-formylanilino)ethoxy]-N-hydroxybenzamide has a molecular weight of 356.42 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butyl-N-formylanilino)ethoxy]-N-hydroxybenzamide is sourced from PubChem (CID 87985831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).