N-hydroxy-5-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]pentanamide

C15H20N4O3 — CID 71625574

IUPACN-hydroxy-5-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]pentanamide
SMILESCOc1ccc(Cn2cc(CCCCC(=O)NO)nn2)cc1
InChIInChI=1S/C15H20N4O3/c1-22-14-8-6-12(7-9-14)10-19-11-13(16-18-19)4-2-3-5-15(20)17-21/h6-9,11,21H,2-5,10H2,1H3,(H,17,20)
InChIKeyIQNCZJNWKJCELX-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.55
Rot. Bonds8

About N-hydroxy-5-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]pentanamide

N-hydroxy-5-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]pentanamide (PubChem CID 71625574) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-hydroxy-5-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]pentanamide.

Molecular Properties

Compound NameN-hydroxy-5-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]pentanamide
PubChem CID71625574
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-hydroxy-5-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]pentanamide
SMILESCOc1ccc(Cn2cc(CCCCC(=O)NO)nn2)cc1
InChIInChI=1S/C15H20N4O3/c1-22-14-8-6-12(7-9-14)10-19-11-13(16-18-19)4-2-3-5-15(20)17-21/h6-9,11,21H,2-5,10H2,1H3,(H,17,20)
InChIKeyIQNCZJNWKJCELX-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
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-5-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]pentanamide?
The IUPAC name of N-hydroxy-5-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]pentanamide (CID 71625574) is N-hydroxy-5-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]pentanamide.
What is the SMILES notation for N-hydroxy-5-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]pentanamide?
The canonical SMILES for N-hydroxy-5-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]pentanamide is COc1ccc(Cn2cc(CCCCC(=O)NO)nn2)cc1.
What is the InChIKey of N-hydroxy-5-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]pentanamide?
The InChIKey is IQNCZJNWKJCELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-22-14-8-6-12(7-9-14)10-19-11-13(16-18-19)4-2-3-5-15(20)17-21/h6-9,11,21H,2-5,10H2,1H3,(H,17,20).
What are the key properties of N-hydroxy-5-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]pentanamide?
N-hydroxy-5-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]pentanamide has a molecular weight of 304.35 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]pentanamide is sourced from PubChem (CID 71625574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).