N-hydroxy-8-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]octanamide

C21H26N4O3 — CID 46229585

IUPACN-hydroxy-8-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]octanamide
SMILESCOc1ccc2cc(-c3cn(CCCCCCCC(=O)NO)nn3)ccc2c1
InChIInChI=1S/C21H26N4O3/c1-28-19-11-10-16-13-18(9-8-17(16)14-19)20-15-25(24-22-20)12-6-4-2-3-5-7-21(26)23-27/h8-11,13-15,27H,2-7,12H2,1H3,(H,23,26)
InChIKeyQZDNUSAWCAENBV-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.95
Rot. Bonds10

About N-hydroxy-8-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]octanamide

N-hydroxy-8-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]octanamide (PubChem CID 46229585) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-hydroxy-8-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]octanamide.

Molecular Properties

Compound NameN-hydroxy-8-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]octanamide
PubChem CID46229585
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-hydroxy-8-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]octanamide
SMILESCOc1ccc2cc(-c3cn(CCCCCCCC(=O)NO)nn3)ccc2c1
InChIInChI=1S/C21H26N4O3/c1-28-19-11-10-16-13-18(9-8-17(16)14-19)20-15-25(24-22-20)12-6-4-2-3-5-7-21(26)23-27/h8-11,13-15,27H,2-7,12H2,1H3,(H,23,26)
InChIKeyQZDNUSAWCAENBV-UHFFFAOYSA-N
XLogP3.95
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.95
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-8-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]octanamide?
The IUPAC name of N-hydroxy-8-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]octanamide (CID 46229585) is N-hydroxy-8-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]octanamide.
What is the SMILES notation for N-hydroxy-8-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]octanamide?
The canonical SMILES for N-hydroxy-8-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]octanamide is COc1ccc2cc(-c3cn(CCCCCCCC(=O)NO)nn3)ccc2c1.
What is the InChIKey of N-hydroxy-8-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]octanamide?
The InChIKey is QZDNUSAWCAENBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-28-19-11-10-16-13-18(9-8-17(16)14-19)20-15-25(24-22-20)12-6-4-2-3-5-7-21(26)23-27/h8-11,13-15,27H,2-7,12H2,1H3,(H,23,26).
What are the key properties of N-hydroxy-8-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]octanamide?
N-hydroxy-8-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]octanamide has a molecular weight of 382.46 g/mol, XLogP of 3.95, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-8-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]octanamide is sourced from PubChem (CID 46229585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).