N-(4-methylphenyl)-2-[4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide

C18H17N5O2 — CID 126014186

IUPACN-(4-methylphenyl)-2-[4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(/C=N/n3cnnc3)cc2)cc1
InChIInChI=1S/C18H17N5O2/c1-14-2-6-16(7-3-14)22-18(24)11-25-17-8-4-15(5-9-17)10-21-23-12-19-20-13-23/h2-10,12-13H,11H2,1H3,(H,22,24)/b21-10+
InChIKeyPNXYBXIZYBPIAU-UFFVCSGVSA-N
MW335.37 g/mol
LogP2.49
Rot. Bonds6

About N-(4-methylphenyl)-2-[4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide

N-(4-methylphenyl)-2-[4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide (PubChem CID 126014186) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide
PubChem CID126014186
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-(4-methylphenyl)-2-[4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2ccc(/C=N/n3cnnc3)cc2)cc1
InChIInChI=1S/C18H17N5O2/c1-14-2-6-16(7-3-14)22-18(24)11-25-17-8-4-15(5-9-17)10-21-23-12-19-20-13-23/h2-10,12-13H,11H2,1H3,(H,22,24)/b21-10+
InChIKeyPNXYBXIZYBPIAU-UFFVCSGVSA-N
XLogP2.49
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5349484
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
2-[4-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 5453155
N-tert-butyl-N'-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832282
2-[4-[(2,4-dioxo-1H-quinazolin-3-yl)iminomethyl]phenoxy]-N-(4-methylphenyl)acetamide
CID 4575125
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079
N-(4-ethoxyphenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705393
4-chloro-N-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 96886328
N-(4-ethylphenyl)-N'-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126179579
N-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 94832530

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide (CID 126014186) is N-(4-methylphenyl)-2-[4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide is Cc1ccc(NC(=O)COc2ccc(/C=N/n3cnnc3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide?
The InChIKey is PNXYBXIZYBPIAU-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-14-2-6-16(7-3-14)22-18(24)11-25-17-8-4-15(5-9-17)10-21-23-12-19-20-13-23/h2-10,12-13H,11H2,1H3,(H,22,24)/b21-10+.
What are the key properties of N-(4-methylphenyl)-2-[4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide?
N-(4-methylphenyl)-2-[4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide has a molecular weight of 335.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-[(E)-1,2,4-triazol-4-yliminomethyl]phenoxy]acetamide is sourced from PubChem (CID 126014186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).