N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methyl]-N-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]acetamide

C24H33FN2O5 — CID 166062007

IUPACN-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methyl]-N-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]acetamide
SMILESCOCCOCCOCC(=O)N(O)Cc1ccc(Nc2ccc(C(C)(C)C)c(F)c2)cc1
InChIInChI=1S/C24H33FN2O5/c1-24(2,3)21-10-9-20(15-22(21)25)26-19-7-5-18(6-8-19)16-27(29)23(28)17-32-14-13-31-12-11-30-4/h5-10,15,26,29H,11-14,16-17H2,1-4H3
InChIKeyCZINNKCZVOSBGB-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.26
Rot. Bonds12

About N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methyl]-N-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]acetamide

N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methyl]-N-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]acetamide (PubChem CID 166062007) has the molecular formula C24H33FN2O5 and a molecular weight of 448.54 g/mol. Its IUPAC name is N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methyl]-N-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]acetamide.

Molecular Properties

Compound NameN-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methyl]-N-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]acetamide
PubChem CID166062007
Molecular FormulaC24H33FN2O5
Molecular Weight448.54 g/mol
Exact Mass448.24
IUPAC NameN-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methyl]-N-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]acetamide
SMILESCOCCOCCOCC(=O)N(O)Cc1ccc(Nc2ccc(C(C)(C)C)c(F)c2)cc1
InChIInChI=1S/C24H33FN2O5/c1-24(2,3)21-10-9-20(15-22(21)25)26-19-7-5-18(6-8-19)16-27(29)23(28)17-32-14-13-31-12-11-30-4/h5-10,15,26,29H,11-14,16-17H2,1-4H3
InChIKeyCZINNKCZVOSBGB-UHFFFAOYSA-N
XLogP4.26
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methyl]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 166062589
N-(4-tert-butyl-3-fluorophenyl)-2-[4-(methoxymethyl)phenyl]acetamide
CID 175900031
N-hydroxy-2,2-dimethyl-N-[[4-(2,4,6-trifluoroanilino)phenyl]methyl]propanamide
CID 166062373
2-(2-methoxyethoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 103601917
(NZ)-N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methylidene]hydroxylamine
CID 166062069
N-[(4-ethylphenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide
CID 103601799
N-(2-aminoethyl)-N-benzyl-2-(2-methoxyethoxy)acetamide
CID 104859530
2-[[2-(2-methoxyethoxy)acetyl]-[[4-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 119197080
N-[(2,4-difluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide
CID 103610141
2-(2-methoxyethoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 103602434
2-(2-methoxyethoxy)-N-(4-propylphenyl)acetamide
CID 103606707
N-[2-(4-tert-butyl-3-fluoroanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 129055257

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methyl]-N-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]acetamide?
The IUPAC name of N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methyl]-N-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]acetamide (CID 166062007) is N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methyl]-N-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]acetamide.
What is the SMILES notation for N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methyl]-N-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]acetamide?
The canonical SMILES for N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methyl]-N-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]acetamide is COCCOCCOCC(=O)N(O)Cc1ccc(Nc2ccc(C(C)(C)C)c(F)c2)cc1.
What is the InChIKey of N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methyl]-N-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]acetamide?
The InChIKey is CZINNKCZVOSBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN2O5/c1-24(2,3)21-10-9-20(15-22(21)25)26-19-7-5-18(6-8-19)16-27(29)23(28)17-32-14-13-31-12-11-30-4/h5-10,15,26,29H,11-14,16-17H2,1-4H3.
What are the key properties of N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methyl]-N-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]acetamide?
N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methyl]-N-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]acetamide has a molecular weight of 448.54 g/mol, XLogP of 4.26, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-tert-butyl-3-fluoroanilino)phenyl]methyl]-N-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]acetamide is sourced from PubChem (CID 166062007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).