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

C19H22N4O3 — CID 25014718

IUPACN-hydroxy-6-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]hexanamide
SMILESCOc1ccc2cc(-c3cn(CCCCCC(=O)NO)nn3)ccc2c1
InChIInChI=1S/C19H22N4O3/c1-26-17-9-8-14-11-16(7-6-15(14)12-17)18-13-23(22-20-18)10-4-2-3-5-19(24)21-25/h6-9,11-13,25H,2-5,10H2,1H3,(H,21,24)
InChIKeyLZEMGHTYCJXNLM-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.17
Rot. Bonds8

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

N-hydroxy-6-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]hexanamide (PubChem CID 25014718) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-hydroxy-6-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]hexanamide
PubChem CID25014718
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-hydroxy-6-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]hexanamide
SMILESCOc1ccc2cc(-c3cn(CCCCCC(=O)NO)nn3)ccc2c1
InChIInChI=1S/C19H22N4O3/c1-26-17-9-8-14-11-16(7-6-15(14)12-17)18-13-23(22-20-18)10-4-2-3-5-19(24)21-25/h6-9,11-13,25H,2-5,10H2,1H3,(H,21,24)
InChIKeyLZEMGHTYCJXNLM-UHFFFAOYSA-N
XLogP3.17
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.17
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-6-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]hexanamide?
The IUPAC name of N-hydroxy-6-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]hexanamide (CID 25014718) is N-hydroxy-6-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]hexanamide.
What is the SMILES notation for N-hydroxy-6-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]hexanamide?
The canonical SMILES for N-hydroxy-6-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]hexanamide is COc1ccc2cc(-c3cn(CCCCCC(=O)NO)nn3)ccc2c1.
What is the InChIKey of N-hydroxy-6-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]hexanamide?
The InChIKey is LZEMGHTYCJXNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-26-17-9-8-14-11-16(7-6-15(14)12-17)18-13-23(22-20-18)10-4-2-3-5-19(24)21-25/h6-9,11-13,25H,2-5,10H2,1H3,(H,21,24).
What are the key properties of N-hydroxy-6-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]hexanamide?
N-hydroxy-6-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]hexanamide has a molecular weight of 354.41 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]hexanamide is sourced from PubChem (CID 25014718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).