N-hydroxy-7-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]heptanamide

C20H24N4O3 — CID 44585332

IUPACN-hydroxy-7-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]heptanamide
SMILESCOc1ccc2cc(-c3cn(CCCCCCC(=O)NO)nn3)ccc2c1
InChIInChI=1S/C20H24N4O3/c1-27-18-10-9-15-12-17(8-7-16(15)13-18)19-14-24(23-21-19)11-5-3-2-4-6-20(25)22-26/h7-10,12-14,26H,2-6,11H2,1H3,(H,22,25)
InChIKeyGCNGIUZJTVNRTP-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.56
Rot. Bonds9

About N-hydroxy-7-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]heptanamide

N-hydroxy-7-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]heptanamide (PubChem CID 44585332) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-hydroxy-7-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]heptanamide
PubChem CID44585332
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-hydroxy-7-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]heptanamide
SMILESCOc1ccc2cc(-c3cn(CCCCCCC(=O)NO)nn3)ccc2c1
InChIInChI=1S/C20H24N4O3/c1-27-18-10-9-15-12-17(8-7-16(15)13-18)19-14-24(23-21-19)11-5-3-2-4-6-20(25)22-26/h7-10,12-14,26H,2-6,11H2,1H3,(H,22,25)
InChIKeyGCNGIUZJTVNRTP-UHFFFAOYSA-N
XLogP3.56
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.56
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-7-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]heptanamide?
The IUPAC name of N-hydroxy-7-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]heptanamide (CID 44585332) is N-hydroxy-7-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]heptanamide.
What is the SMILES notation for N-hydroxy-7-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]heptanamide?
The canonical SMILES for N-hydroxy-7-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]heptanamide is COc1ccc2cc(-c3cn(CCCCCCC(=O)NO)nn3)ccc2c1.
What is the InChIKey of N-hydroxy-7-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]heptanamide?
The InChIKey is GCNGIUZJTVNRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-27-18-10-9-15-12-17(8-7-16(15)13-18)19-14-24(23-21-19)11-5-3-2-4-6-20(25)22-26/h7-10,12-14,26H,2-6,11H2,1H3,(H,22,25).
What are the key properties of N-hydroxy-7-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]heptanamide?
N-hydroxy-7-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]heptanamide has a molecular weight of 368.44 g/mol, XLogP of 3.56, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]heptanamide is sourced from PubChem (CID 44585332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).