N-hydroxy-6-[4-(3-phenylphenyl)triazol-1-yl]hexanamide

C20H22N4O2 — CID 44585264

IUPACN-hydroxy-6-[4-(3-phenylphenyl)triazol-1-yl]hexanamide
SMILESO=C(CCCCCn1cc(-c2cccc(-c3ccccc3)c2)nn1)NO
InChIInChI=1S/C20H22N4O2/c25-20(22-26)12-5-2-6-13-24-15-19(21-23-24)18-11-7-10-17(14-18)16-8-3-1-4-9-16/h1,3-4,7-11,14-15,26H,2,5-6,12-13H2,(H,22,25)
InChIKeyYLQFHROXRNFGMC-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.68
Rot. Bonds8

About N-hydroxy-6-[4-(3-phenylphenyl)triazol-1-yl]hexanamide

N-hydroxy-6-[4-(3-phenylphenyl)triazol-1-yl]hexanamide (PubChem CID 44585264) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-hydroxy-6-[4-(3-phenylphenyl)triazol-1-yl]hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[4-(3-phenylphenyl)triazol-1-yl]hexanamide
PubChem CID44585264
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-hydroxy-6-[4-(3-phenylphenyl)triazol-1-yl]hexanamide
SMILESO=C(CCCCCn1cc(-c2cccc(-c3ccccc3)c2)nn1)NO
InChIInChI=1S/C20H22N4O2/c25-20(22-26)12-5-2-6-13-24-15-19(21-23-24)18-11-7-10-17(14-18)16-8-3-1-4-9-16/h1,3-4,7-11,14-15,26H,2,5-6,12-13H2,(H,22,25)
InChIKeyYLQFHROXRNFGMC-UHFFFAOYSA-N
XLogP3.68
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.68
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-6-[4-(3-phenylphenyl)triazol-1-yl]hexanamide?
The IUPAC name of N-hydroxy-6-[4-(3-phenylphenyl)triazol-1-yl]hexanamide (CID 44585264) is N-hydroxy-6-[4-(3-phenylphenyl)triazol-1-yl]hexanamide.
What is the SMILES notation for N-hydroxy-6-[4-(3-phenylphenyl)triazol-1-yl]hexanamide?
The canonical SMILES for N-hydroxy-6-[4-(3-phenylphenyl)triazol-1-yl]hexanamide is O=C(CCCCCn1cc(-c2cccc(-c3ccccc3)c2)nn1)NO.
What is the InChIKey of N-hydroxy-6-[4-(3-phenylphenyl)triazol-1-yl]hexanamide?
The InChIKey is YLQFHROXRNFGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-20(22-26)12-5-2-6-13-24-15-19(21-23-24)18-11-7-10-17(14-18)16-8-3-1-4-9-16/h1,3-4,7-11,14-15,26H,2,5-6,12-13H2,(H,22,25).
What are the key properties of N-hydroxy-6-[4-(3-phenylphenyl)triazol-1-yl]hexanamide?
N-hydroxy-6-[4-(3-phenylphenyl)triazol-1-yl]hexanamide has a molecular weight of 350.42 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[4-(3-phenylphenyl)triazol-1-yl]hexanamide is sourced from PubChem (CID 44585264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).