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

C20H18N4O3 — CID 162643041

IUPACN-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(triazol-1-yl)ethoxy]acetamide
SMILESO=C(CO[C@@H](Cn1ccnn1)c1ccc(C#Cc2ccccc2)cc1)NO
InChIInChI=1S/C20H18N4O3/c25-20(22-26)15-27-19(14-24-13-12-21-23-24)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-13,19,26H,14-15H2,(H,22,25)/t19-/m0/s1
InChIKeyIOIYYPGNPYQRKU-IBGZPJMESA-N
MW362.39 g/mol
LogP1.94
Rot. Bonds6

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

N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(triazol-1-yl)ethoxy]acetamide (PubChem CID 162643041) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(triazol-1-yl)ethoxy]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(triazol-1-yl)ethoxy]acetamide
PubChem CID162643041
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(triazol-1-yl)ethoxy]acetamide
SMILESO=C(CO[C@@H](Cn1ccnn1)c1ccc(C#Cc2ccccc2)cc1)NO
InChIInChI=1S/C20H18N4O3/c25-20(22-26)15-27-19(14-24-13-12-21-23-24)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-13,19,26H,14-15H2,(H,22,25)/t19-/m0/s1
InChIKeyIOIYYPGNPYQRKU-IBGZPJMESA-N
XLogP1.94
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 51.94
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(triazol-1-yl)ethoxy]acetamide?
The IUPAC name of N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(triazol-1-yl)ethoxy]acetamide (CID 162643041) is N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(triazol-1-yl)ethoxy]acetamide.
What is the SMILES notation for N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(triazol-1-yl)ethoxy]acetamide?
The canonical SMILES for N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(triazol-1-yl)ethoxy]acetamide is O=C(CO[C@@H](Cn1ccnn1)c1ccc(C#Cc2ccccc2)cc1)NO.
What is the InChIKey of N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(triazol-1-yl)ethoxy]acetamide?
The InChIKey is IOIYYPGNPYQRKU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18N4O3/c25-20(22-26)15-27-19(14-24-13-12-21-23-24)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-13,19,26H,14-15H2,(H,22,25)/t19-/m0/s1.
What are the key properties of N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(triazol-1-yl)ethoxy]acetamide?
N-hydroxy-2-[(1R)-1-[4-(2-phenylethynyl)phenyl]-2-(triazol-1-yl)ethoxy]acetamide has a molecular weight of 362.39 g/mol, XLogP of 1.94, 6 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-(triazol-1-yl)ethoxy]acetamide is sourced from PubChem (CID 162643041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).