2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-phenylacetamide

C18H18N4O3 — CID 100830469

IUPAC2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-phenylacetamide
SMILESCOc1ccc(OCc2cn(CC(=O)Nc3ccccc3)nn2)cc1
InChIInChI=1S/C18H18N4O3/c1-24-16-7-9-17(10-8-16)25-13-15-11-22(21-20-15)12-18(23)19-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,19,23)
InChIKeyCMFGFGCQSQKPRI-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.50
Rot. Bonds7

About 2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-phenylacetamide

2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-phenylacetamide (PubChem CID 100830469) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-phenylacetamide
PubChem CID100830469
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-phenylacetamide
SMILESCOc1ccc(OCc2cn(CC(=O)Nc3ccccc3)nn2)cc1
InChIInChI=1S/C18H18N4O3/c1-24-16-7-9-17(10-8-16)25-13-15-11-22(21-20-15)12-18(23)19-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,19,23)
InChIKeyCMFGFGCQSQKPRI-UHFFFAOYSA-N
XLogP2.50
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1H-1,2,3-Triazole, 4-(phenoxymethyl)-1-phenyl-
CID 851737
2-[4-[[4-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide
CID 162658186
2-[4-[[4-[[1-[2-(4-methoxyanilino)-2-oxoethyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 162661489
2-[4-[[4-[[1-[2-(4-nitroanilino)-2-oxoethyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-(4-nitrophenyl)acetamide
CID 162674348
1-[4-(4-Butyltriazol-1-yl)phenyl]-3-(2-cyclopentyloxyphenyl)urea
CID 168299311
2-[4-[[2-[[1-[2-(4-methoxyanilino)-2-oxoethyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 155511023
2-[4-[[3-[[1-(2-anilino-2-oxoethyl)triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-phenylacetamide
CID 155545690
2-[4-[[3-[[1-[2-(4-methoxyanilino)-2-oxoethyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 155554332
2-[4-[[2-[[1-[2-(4-methylanilino)-2-oxoethyl]triazol-4-yl]methoxy]phenoxy]methyl]triazol-1-yl]-N-(4-methylphenyl)acetamide
CID 155563621
N-[2-[4-[(4-acetamidophenoxy)methyl]triazol-1-yl]ethyl]-N'-hydroxy-2-(2-methylpropyl)propanediamide
CID 168270183
1-(4-Methoxyphenyl)-4-(phenoxymethyl)triazole
CID 44454639
1-methyl-N-(4-phenoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
CID 45497230

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-phenylacetamide (CID 100830469) is 2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-phenylacetamide is COc1ccc(OCc2cn(CC(=O)Nc3ccccc3)nn2)cc1.
What is the InChIKey of 2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-phenylacetamide?
The InChIKey is CMFGFGCQSQKPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-24-16-7-9-17(10-8-16)25-13-15-11-22(21-20-15)12-18(23)19-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,19,23).
What are the key properties of 2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-phenylacetamide?
2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-phenylacetamide has a molecular weight of 338.37 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 100830469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).