5-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide

C18H26N4O2 — CID 71625575

IUPAC5-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide
SMILESCC(C)(C)c1ccc(Cn2cc(CCCCC(=O)NO)nn2)cc1
InChIInChI=1S/C18H26N4O2/c1-18(2,3)15-10-8-14(9-11-15)12-22-13-16(19-21-22)6-4-5-7-17(23)20-24/h8-11,13,24H,4-7,12H2,1-3H3,(H,20,23)
InChIKeyOJBKBTKOMAPVTG-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.84
Rot. Bonds7

About 5-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide

5-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide (PubChem CID 71625575) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide.

Molecular Properties

Compound Name5-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide
PubChem CID71625575
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name5-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide
SMILESCC(C)(C)c1ccc(Cn2cc(CCCCC(=O)NO)nn2)cc1
InChIInChI=1S/C18H26N4O2/c1-18(2,3)15-10-8-14(9-11-15)12-22-13-16(19-21-22)6-4-5-7-17(23)20-24/h8-11,13,24H,4-7,12H2,1-3H3,(H,20,23)
InChIKeyOJBKBTKOMAPVTG-UHFFFAOYSA-N
XLogP2.84
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide?
The IUPAC name of 5-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide (CID 71625575) is 5-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide.
What is the SMILES notation for 5-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide?
The canonical SMILES for 5-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide is CC(C)(C)c1ccc(Cn2cc(CCCCC(=O)NO)nn2)cc1.
What is the InChIKey of 5-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide?
The InChIKey is OJBKBTKOMAPVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-18(2,3)15-10-8-14(9-11-15)12-22-13-16(19-21-22)6-4-5-7-17(23)20-24/h8-11,13,24H,4-7,12H2,1-3H3,(H,20,23).
What are the key properties of 5-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide?
5-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide has a molecular weight of 330.43 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide is sourced from PubChem (CID 71625575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).