N-hydroxy-5-[1-[(3-phenylphenyl)methyl]triazol-4-yl]pentanamide

C20H22N4O2 — CID 71625690

IUPACN-hydroxy-5-[1-[(3-phenylphenyl)methyl]triazol-4-yl]pentanamide
SMILESO=C(CCCCc1cn(Cc2cccc(-c3ccccc3)c2)nn1)NO
InChIInChI=1S/C20H22N4O2/c25-20(22-26)12-5-4-11-19-15-24(23-21-19)14-16-7-6-10-18(13-16)17-8-2-1-3-9-17/h1-3,6-10,13,15,26H,4-5,11-12,14H2,(H,22,25)
InChIKeyHPBLAPCMXKCTJG-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.21
Rot. Bonds8

About N-hydroxy-5-[1-[(3-phenylphenyl)methyl]triazol-4-yl]pentanamide

N-hydroxy-5-[1-[(3-phenylphenyl)methyl]triazol-4-yl]pentanamide (PubChem CID 71625690) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-hydroxy-5-[1-[(3-phenylphenyl)methyl]triazol-4-yl]pentanamide.

Molecular Properties

Compound NameN-hydroxy-5-[1-[(3-phenylphenyl)methyl]triazol-4-yl]pentanamide
PubChem CID71625690
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-hydroxy-5-[1-[(3-phenylphenyl)methyl]triazol-4-yl]pentanamide
SMILESO=C(CCCCc1cn(Cc2cccc(-c3ccccc3)c2)nn1)NO
InChIInChI=1S/C20H22N4O2/c25-20(22-26)12-5-4-11-19-15-24(23-21-19)14-16-7-6-10-18(13-16)17-8-2-1-3-9-17/h1-3,6-10,13,15,26H,4-5,11-12,14H2,(H,22,25)
InChIKeyHPBLAPCMXKCTJG-UHFFFAOYSA-N
XLogP3.21
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(3-phenylphenyl)methyl]triazol-4-yl]pentanamide?
The IUPAC name of N-hydroxy-5-[1-[(3-phenylphenyl)methyl]triazol-4-yl]pentanamide (CID 71625690) is N-hydroxy-5-[1-[(3-phenylphenyl)methyl]triazol-4-yl]pentanamide.
What is the SMILES notation for N-hydroxy-5-[1-[(3-phenylphenyl)methyl]triazol-4-yl]pentanamide?
The canonical SMILES for N-hydroxy-5-[1-[(3-phenylphenyl)methyl]triazol-4-yl]pentanamide is O=C(CCCCc1cn(Cc2cccc(-c3ccccc3)c2)nn1)NO.
What is the InChIKey of N-hydroxy-5-[1-[(3-phenylphenyl)methyl]triazol-4-yl]pentanamide?
The InChIKey is HPBLAPCMXKCTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-20(22-26)12-5-4-11-19-15-24(23-21-19)14-16-7-6-10-18(13-16)17-8-2-1-3-9-17/h1-3,6-10,13,15,26H,4-5,11-12,14H2,(H,22,25).
What are the key properties of N-hydroxy-5-[1-[(3-phenylphenyl)methyl]triazol-4-yl]pentanamide?
N-hydroxy-5-[1-[(3-phenylphenyl)methyl]triazol-4-yl]pentanamide has a molecular weight of 350.42 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[1-[(3-phenylphenyl)methyl]triazol-4-yl]pentanamide is sourced from PubChem (CID 71625690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).