N-hydroxy-7-[4-(3-phenylphenyl)triazol-1-yl]heptanamide

C21H24N4O2 — CID 44585265

IUPACN-hydroxy-7-[4-(3-phenylphenyl)triazol-1-yl]heptanamide
SMILESO=C(CCCCCCn1cc(-c2cccc(-c3ccccc3)c2)nn1)NO
InChIInChI=1S/C21H24N4O2/c26-21(23-27)13-6-1-2-7-14-25-16-20(22-24-25)19-12-8-11-18(15-19)17-9-4-3-5-10-17/h3-5,8-12,15-16,27H,1-2,6-7,13-14H2,(H,23,26)
InChIKeyXUCYDFOPYHKDHT-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.07
Rot. Bonds9

About N-hydroxy-7-[4-(3-phenylphenyl)triazol-1-yl]heptanamide

N-hydroxy-7-[4-(3-phenylphenyl)triazol-1-yl]heptanamide (PubChem CID 44585265) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-hydroxy-7-[4-(3-phenylphenyl)triazol-1-yl]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[4-(3-phenylphenyl)triazol-1-yl]heptanamide
PubChem CID44585265
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-hydroxy-7-[4-(3-phenylphenyl)triazol-1-yl]heptanamide
SMILESO=C(CCCCCCn1cc(-c2cccc(-c3ccccc3)c2)nn1)NO
InChIInChI=1S/C21H24N4O2/c26-21(23-27)13-6-1-2-7-14-25-16-20(22-24-25)19-12-8-11-18(15-19)17-9-4-3-5-10-17/h3-5,8-12,15-16,27H,1-2,6-7,13-14H2,(H,23,26)
InChIKeyXUCYDFOPYHKDHT-UHFFFAOYSA-N
XLogP4.07
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.07
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-7-[4-(3-phenylphenyl)triazol-1-yl]heptanamide?
The IUPAC name of N-hydroxy-7-[4-(3-phenylphenyl)triazol-1-yl]heptanamide (CID 44585265) is N-hydroxy-7-[4-(3-phenylphenyl)triazol-1-yl]heptanamide.
What is the SMILES notation for N-hydroxy-7-[4-(3-phenylphenyl)triazol-1-yl]heptanamide?
The canonical SMILES for N-hydroxy-7-[4-(3-phenylphenyl)triazol-1-yl]heptanamide is O=C(CCCCCCn1cc(-c2cccc(-c3ccccc3)c2)nn1)NO.
What is the InChIKey of N-hydroxy-7-[4-(3-phenylphenyl)triazol-1-yl]heptanamide?
The InChIKey is XUCYDFOPYHKDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-21(23-27)13-6-1-2-7-14-25-16-20(22-24-25)19-12-8-11-18(15-19)17-9-4-3-5-10-17/h3-5,8-12,15-16,27H,1-2,6-7,13-14H2,(H,23,26).
What are the key properties of N-hydroxy-7-[4-(3-phenylphenyl)triazol-1-yl]heptanamide?
N-hydroxy-7-[4-(3-phenylphenyl)triazol-1-yl]heptanamide has a molecular weight of 364.45 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[4-(3-phenylphenyl)triazol-1-yl]heptanamide is sourced from PubChem (CID 44585265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).