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

C21H24N4O3 — CID 25068486

IUPACN-hydroxy-7-[4-(4-phenoxyphenyl)triazol-1-yl]heptanamide
SMILESO=C(CCCCCCn1cc(-c2ccc(Oc3ccccc3)cc2)nn1)NO
InChIInChI=1S/C21H24N4O3/c26-21(23-27)10-6-1-2-7-15-25-16-20(22-24-25)17-11-13-19(14-12-17)28-18-8-4-3-5-9-18/h3-5,8-9,11-14,16,27H,1-2,6-7,10,15H2,(H,23,26)
InChIKeyGBVSYLOPHUMZRI-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.19
Rot. Bonds10

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

N-hydroxy-7-[4-(4-phenoxyphenyl)triazol-1-yl]heptanamide (PubChem CID 25068486) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-hydroxy-7-[4-(4-phenoxyphenyl)triazol-1-yl]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[4-(4-phenoxyphenyl)triazol-1-yl]heptanamide
PubChem CID25068486
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-hydroxy-7-[4-(4-phenoxyphenyl)triazol-1-yl]heptanamide
SMILESO=C(CCCCCCn1cc(-c2ccc(Oc3ccccc3)cc2)nn1)NO
InChIInChI=1S/C21H24N4O3/c26-21(23-27)10-6-1-2-7-15-25-16-20(22-24-25)17-11-13-19(14-12-17)28-18-8-4-3-5-9-18/h3-5,8-9,11-14,16,27H,1-2,6-7,10,15H2,(H,23,26)
InChIKeyGBVSYLOPHUMZRI-UHFFFAOYSA-N
XLogP4.19
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.19
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

N-hydroxy-7-[4-(4-methoxyphenyl)triazol-1-yl]heptanamide
CID 25068485
7-(6-Methoxynaphthalyl)Triazolylheptahydroxamic Acid
CID 44585332
N-hydroxy-5-[1-[(4-phenoxyphenyl)methyl]triazol-4-yl]pentanamide
CID 60151139
(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-[(4-phenoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 72195595
N-hydroxy-5-[1-[(4-phenylmethoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 72195596
N-hydroxy-5-[1-[(3-phenoxyphenyl)methyl]pyrazol-3-yl]pentanamide
CID 118714379
4-(4-Methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole
CID 24793538
6-(6-Methoxynaphthalyl)Triazolylhexahydroxamic Acid
CID 25014718
6-(4-Anisolyl)triazolylhexahydroxamic acid
CID 25068481
6-(3-Anisolyl)triazolylhexahydroxamic acid
CID 44585257
6-(2-Anisolyl)triazolylhexahydroxamic acid
CID 44585258

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[4-(4-phenoxyphenyl)triazol-1-yl]heptanamide?
The IUPAC name of N-hydroxy-7-[4-(4-phenoxyphenyl)triazol-1-yl]heptanamide (CID 25068486) is N-hydroxy-7-[4-(4-phenoxyphenyl)triazol-1-yl]heptanamide.
What is the SMILES notation for N-hydroxy-7-[4-(4-phenoxyphenyl)triazol-1-yl]heptanamide?
The canonical SMILES for N-hydroxy-7-[4-(4-phenoxyphenyl)triazol-1-yl]heptanamide is O=C(CCCCCCn1cc(-c2ccc(Oc3ccccc3)cc2)nn1)NO.
What is the InChIKey of N-hydroxy-7-[4-(4-phenoxyphenyl)triazol-1-yl]heptanamide?
The InChIKey is GBVSYLOPHUMZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-21(23-27)10-6-1-2-7-15-25-16-20(22-24-25)17-11-13-19(14-12-17)28-18-8-4-3-5-9-18/h3-5,8-9,11-14,16,27H,1-2,6-7,10,15H2,(H,23,26).
What are the key properties of N-hydroxy-7-[4-(4-phenoxyphenyl)triazol-1-yl]heptanamide?
N-hydroxy-7-[4-(4-phenoxyphenyl)triazol-1-yl]heptanamide has a molecular weight of 380.45 g/mol, XLogP of 4.19, 10 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-phenoxyphenyl)triazol-1-yl]heptanamide is sourced from PubChem (CID 25068486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).