N-hydroxy-7-[4-(4-methoxyphenyl)triazol-1-yl]heptanamide

C16H22N4O3 — CID 25068485

IUPACN-hydroxy-7-[4-(4-methoxyphenyl)triazol-1-yl]heptanamide
SMILESCOc1ccc(-c2cn(CCCCCCC(=O)NO)nn2)cc1
InChIInChI=1S/C16H22N4O3/c1-23-14-9-7-13(8-10-14)15-12-20(19-17-15)11-5-3-2-4-6-16(21)18-22/h7-10,12,22H,2-6,11H2,1H3,(H,18,21)
InChIKeyRCOBRSKZZCLVIO-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.41
Rot. Bonds9

About N-hydroxy-7-[4-(4-methoxyphenyl)triazol-1-yl]heptanamide

N-hydroxy-7-[4-(4-methoxyphenyl)triazol-1-yl]heptanamide (PubChem CID 25068485) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-hydroxy-7-[4-(4-methoxyphenyl)triazol-1-yl]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[4-(4-methoxyphenyl)triazol-1-yl]heptanamide
PubChem CID25068485
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-hydroxy-7-[4-(4-methoxyphenyl)triazol-1-yl]heptanamide
SMILESCOc1ccc(-c2cn(CCCCCCC(=O)NO)nn2)cc1
InChIInChI=1S/C16H22N4O3/c1-23-14-9-7-13(8-10-14)15-12-20(19-17-15)11-5-3-2-4-6-16(21)18-22/h7-10,12,22H,2-6,11H2,1H3,(H,18,21)
InChIKeyRCOBRSKZZCLVIO-UHFFFAOYSA-N
XLogP2.41
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.41
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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Related Compounds

7-(6-Methoxynaphthalyl)Triazolylheptahydroxamic Acid
CID 44585332
5-[1-[(3,5-dimethoxyphenyl)methyl]triazol-4-yl]-N-hydroxypentanamide
CID 60151002
N-hydroxy-5-[1-[(4-phenoxyphenyl)methyl]triazol-4-yl]pentanamide
CID 60151139
(2R)-4-[4-(2-fluoro-4-methoxyphenyl)triazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 66557945
(2S)-1-[(2S)-2-amino-3-[4-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]phenyl]propanoyl]pyrrolidine-2-carbonitrile;hydrochloride
CID 72165083
N-hydroxy-5-[1-[(3-methoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 72195594
N-hydroxy-5-[1-[(4-phenoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 72195595
N-hydroxy-5-[1-[(4-phenylmethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 72195596
4-(4-Methoxyphenyl)-1-[(4-nitrophenyl)methyl]triazole
CID 24789345
4-(4-Methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole
CID 24793538
[4-[[4-(4-Methoxyphenyl)triazol-1-yl]methyl]phenyl]-phenylmethanone
CID 24793586
6-(6-Methoxynaphthalyl)Triazolylhexahydroxamic Acid
CID 25014718

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[4-(4-methoxyphenyl)triazol-1-yl]heptanamide?
The IUPAC name of N-hydroxy-7-[4-(4-methoxyphenyl)triazol-1-yl]heptanamide (CID 25068485) is N-hydroxy-7-[4-(4-methoxyphenyl)triazol-1-yl]heptanamide.
What is the SMILES notation for N-hydroxy-7-[4-(4-methoxyphenyl)triazol-1-yl]heptanamide?
The canonical SMILES for N-hydroxy-7-[4-(4-methoxyphenyl)triazol-1-yl]heptanamide is COc1ccc(-c2cn(CCCCCCC(=O)NO)nn2)cc1.
What is the InChIKey of N-hydroxy-7-[4-(4-methoxyphenyl)triazol-1-yl]heptanamide?
The InChIKey is RCOBRSKZZCLVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-23-14-9-7-13(8-10-14)15-12-20(19-17-15)11-5-3-2-4-6-16(21)18-22/h7-10,12,22H,2-6,11H2,1H3,(H,18,21).
What are the key properties of N-hydroxy-7-[4-(4-methoxyphenyl)triazol-1-yl]heptanamide?
N-hydroxy-7-[4-(4-methoxyphenyl)triazol-1-yl]heptanamide has a molecular weight of 318.38 g/mol, XLogP of 2.41, 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-(4-methoxyphenyl)triazol-1-yl]heptanamide is sourced from PubChem (CID 25068485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).