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

C15H20N4O3 — CID 44585257

IUPACN-hydroxy-6-[4-(3-methoxyphenyl)triazol-1-yl]hexanamide
SMILESCOc1cccc(-c2cn(CCCCCC(=O)NO)nn2)c1
InChIInChI=1S/C15H20N4O3/c1-22-13-7-5-6-12(10-13)14-11-19(18-16-14)9-4-2-3-8-15(20)17-21/h5-7,10-11,21H,2-4,8-9H2,1H3,(H,17,20)
InChIKeyPNVDNYPWSWWCGS-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.02
Rot. Bonds8

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

N-hydroxy-6-[4-(3-methoxyphenyl)triazol-1-yl]hexanamide (PubChem CID 44585257) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-hydroxy-6-[4-(3-methoxyphenyl)triazol-1-yl]hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[4-(3-methoxyphenyl)triazol-1-yl]hexanamide
PubChem CID44585257
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-hydroxy-6-[4-(3-methoxyphenyl)triazol-1-yl]hexanamide
SMILESCOc1cccc(-c2cn(CCCCCC(=O)NO)nn2)c1
InChIInChI=1S/C15H20N4O3/c1-22-13-7-5-6-12(10-13)14-11-19(18-16-14)9-4-2-3-8-15(20)17-21/h5-7,10-11,21H,2-4,8-9H2,1H3,(H,17,20)
InChIKeyPNVDNYPWSWWCGS-UHFFFAOYSA-N
XLogP2.02
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.02
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-(3-methoxyphenyl)triazol-1-yl]hexanamide?
The IUPAC name of N-hydroxy-6-[4-(3-methoxyphenyl)triazol-1-yl]hexanamide (CID 44585257) is N-hydroxy-6-[4-(3-methoxyphenyl)triazol-1-yl]hexanamide.
What is the SMILES notation for N-hydroxy-6-[4-(3-methoxyphenyl)triazol-1-yl]hexanamide?
The canonical SMILES for N-hydroxy-6-[4-(3-methoxyphenyl)triazol-1-yl]hexanamide is COc1cccc(-c2cn(CCCCCC(=O)NO)nn2)c1.
What is the InChIKey of N-hydroxy-6-[4-(3-methoxyphenyl)triazol-1-yl]hexanamide?
The InChIKey is PNVDNYPWSWWCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-22-13-7-5-6-12(10-13)14-11-19(18-16-14)9-4-2-3-8-15(20)17-21/h5-7,10-11,21H,2-4,8-9H2,1H3,(H,17,20).
What are the key properties of N-hydroxy-6-[4-(3-methoxyphenyl)triazol-1-yl]hexanamide?
N-hydroxy-6-[4-(3-methoxyphenyl)triazol-1-yl]hexanamide has a molecular weight of 304.35 g/mol, XLogP of 2.02, 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-(3-methoxyphenyl)triazol-1-yl]hexanamide is sourced from PubChem (CID 44585257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).