N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(4-phenyltriazol-1-yl)ethoxy]acetamide

C26H22N4O3 — CID 162651349

IUPACN-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(4-phenyltriazol-1-yl)ethoxy]acetamide
SMILESO=C(CO[C@@H](Cn1cc(-c2ccccc2)nn1)c1ccc(C#Cc2ccccc2)cc1)NO
InChIInChI=1S/C26H22N4O3/c31-26(28-32)19-33-25(18-30-17-24(27-29-30)22-9-5-2-6-10-22)23-15-13-21(14-16-23)12-11-20-7-3-1-4-8-20/h1-10,13-17,25,32H,18-19H2,(H,28,31)/t25-/m0/s1
InChIKeyXATIKQNQLFNGQX-VWLOTQADSA-N
MW438.49 g/mol
LogP3.61
Rot. Bonds7

About N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(4-phenyltriazol-1-yl)ethoxy]acetamide

N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(4-phenyltriazol-1-yl)ethoxy]acetamide (PubChem CID 162651349) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(4-phenyltriazol-1-yl)ethoxy]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(4-phenyltriazol-1-yl)ethoxy]acetamide
PubChem CID162651349
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC NameN-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(4-phenyltriazol-1-yl)ethoxy]acetamide
SMILESO=C(CO[C@@H](Cn1cc(-c2ccccc2)nn1)c1ccc(C#Cc2ccccc2)cc1)NO
InChIInChI=1S/C26H22N4O3/c31-26(28-32)19-33-25(18-30-17-24(27-29-30)22-9-5-2-6-10-22)23-15-13-21(14-16-23)12-11-20-7-3-1-4-8-20/h1-10,13-17,25,32H,18-19H2,(H,28,31)/t25-/m0/s1
InChIKeyXATIKQNQLFNGQX-VWLOTQADSA-N
XLogP3.61
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-[(1S)-2-[4-(hydroxymethyl)triazol-1-yl]-1-[4-(2-phenylethynyl)phenyl]ethoxy]acetamide
CID 162671012
5-hydroxy-5-[2-[4-(4-methylphenyl)triazol-1-yl]ethyl]-3,4-bis(phenylmethoxy)-1H-pyrrol-2-one
CID 90682934
N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(triazol-1-yl)ethoxy]acetamide
CID 162643041
N-hydroxy-2-[(1S)-1-[4-(2-phenylethynyl)phenyl]-2-(triazol-1-yl)ethoxy]acetamide
CID 162648951
N-hydroxy-2-[(1S)-1-(4-phenylmethoxyphenyl)-2-(4-phenyltriazol-1-yl)ethoxy]acetamide
CID 162651320
N-hydroxy-2-[(1S)-2-[5-(hydroxymethyl)triazol-1-yl]-1-[4-(2-phenylethynyl)phenyl]ethoxy]acetamide
CID 162652008
N-hydroxy-2-[(1S)-1-[4-(2-phenylethynyl)phenyl]-2-(5-phenyltriazol-1-yl)ethoxy]acetamide
CID 162659933
N-hydroxy-2-[(1S)-1-[4-(2-phenylethynyl)phenyl]-2-(4-phenyltriazol-1-yl)ethoxy]acetamide
CID 162664215
4-Phenyl-1-[2-(4-phenylphenyl)-2-(trifluoromethoxy)ethyl]triazole
CID 176438157
2-[(4-fluorophenyl)methoxy]-N-[5-(4-phenyltriazol-1-yl)pentyl]acetamide
CID 58756791
5-Benzyloxy-2-[(4-phenyl-1,2,3-triazole-1-yl)methyl]-4h-pyran-4-one
CID 129839839
(E)-N-hydroxy-3-[4-[(2S)-1-[2-[1-(2-phenylmethoxyethyl)triazol-4-yl]ethyl]pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 44235747

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(4-phenyltriazol-1-yl)ethoxy]acetamide?
The IUPAC name of N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(4-phenyltriazol-1-yl)ethoxy]acetamide (CID 162651349) is N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(4-phenyltriazol-1-yl)ethoxy]acetamide.
What is the SMILES notation for N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(4-phenyltriazol-1-yl)ethoxy]acetamide?
The canonical SMILES for N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(4-phenyltriazol-1-yl)ethoxy]acetamide is O=C(CO[C@@H](Cn1cc(-c2ccccc2)nn1)c1ccc(C#Cc2ccccc2)cc1)NO.
What is the InChIKey of N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(4-phenyltriazol-1-yl)ethoxy]acetamide?
The InChIKey is XATIKQNQLFNGQX-VWLOTQADSA-N. The full InChI is InChI=1S/C26H22N4O3/c31-26(28-32)19-33-25(18-30-17-24(27-29-30)22-9-5-2-6-10-22)23-15-13-21(14-16-23)12-11-20-7-3-1-4-8-20/h1-10,13-17,25,32H,18-19H2,(H,28,31)/t25-/m0/s1.
What are the key properties of N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(4-phenyltriazol-1-yl)ethoxy]acetamide?
N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(4-phenyltriazol-1-yl)ethoxy]acetamide has a molecular weight of 438.49 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(4-phenyltriazol-1-yl)ethoxy]acetamide is sourced from PubChem (CID 162651349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).