N-hydroxy-8-[4-(3-phenylphenyl)triazol-1-yl]octanamide

C22H26N4O2 — CID 46229559

IUPACN-hydroxy-8-[4-(3-phenylphenyl)triazol-1-yl]octanamide
SMILESO=C(CCCCCCCn1cc(-c2cccc(-c3ccccc3)c2)nn1)NO
InChIInChI=1S/C22H26N4O2/c27-22(24-28)14-7-2-1-3-8-15-26-17-21(23-25-26)20-13-9-12-19(16-20)18-10-5-4-6-11-18/h4-6,9-13,16-17,28H,1-3,7-8,14-15H2,(H,24,27)
InChIKeyXATISYRBEJVNLE-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.46
Rot. Bonds10

About N-hydroxy-8-[4-(3-phenylphenyl)triazol-1-yl]octanamide

N-hydroxy-8-[4-(3-phenylphenyl)triazol-1-yl]octanamide (PubChem CID 46229559) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-hydroxy-8-[4-(3-phenylphenyl)triazol-1-yl]octanamide.

Molecular Properties

Compound NameN-hydroxy-8-[4-(3-phenylphenyl)triazol-1-yl]octanamide
PubChem CID46229559
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-hydroxy-8-[4-(3-phenylphenyl)triazol-1-yl]octanamide
SMILESO=C(CCCCCCCn1cc(-c2cccc(-c3ccccc3)c2)nn1)NO
InChIInChI=1S/C22H26N4O2/c27-22(24-28)14-7-2-1-3-8-15-26-17-21(23-25-26)20-13-9-12-19(16-20)18-10-5-4-6-11-18/h4-6,9-13,16-17,28H,1-3,7-8,14-15H2,(H,24,27)
InChIKeyXATISYRBEJVNLE-UHFFFAOYSA-N
XLogP4.46
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.46
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 N-hydroxy-8-[4-(3-phenylphenyl)triazol-1-yl]octanamide?
The IUPAC name of N-hydroxy-8-[4-(3-phenylphenyl)triazol-1-yl]octanamide (CID 46229559) is N-hydroxy-8-[4-(3-phenylphenyl)triazol-1-yl]octanamide.
What is the SMILES notation for N-hydroxy-8-[4-(3-phenylphenyl)triazol-1-yl]octanamide?
The canonical SMILES for N-hydroxy-8-[4-(3-phenylphenyl)triazol-1-yl]octanamide is O=C(CCCCCCCn1cc(-c2cccc(-c3ccccc3)c2)nn1)NO.
What is the InChIKey of N-hydroxy-8-[4-(3-phenylphenyl)triazol-1-yl]octanamide?
The InChIKey is XATISYRBEJVNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-22(24-28)14-7-2-1-3-8-15-26-17-21(23-25-26)20-13-9-12-19(16-20)18-10-5-4-6-11-18/h4-6,9-13,16-17,28H,1-3,7-8,14-15H2,(H,24,27).
What are the key properties of N-hydroxy-8-[4-(3-phenylphenyl)triazol-1-yl]octanamide?
N-hydroxy-8-[4-(3-phenylphenyl)triazol-1-yl]octanamide has a molecular weight of 378.48 g/mol, XLogP of 4.46, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-8-[4-(3-phenylphenyl)triazol-1-yl]octanamide is sourced from PubChem (CID 46229559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).