2-(2,5-dimethylphenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide

C13H16N4O3 — CID 83092748

IUPAC2-(2,5-dimethylphenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1n[nH]c(NC(=O)COc2cc(C)ccc2C)n1
InChIInChI=1S/C13H16N4O3/c1-8-4-5-9(2)10(6-8)20-7-11(18)14-12-15-13(19-3)17-16-12/h4-6H,7H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyLZQSLWXDWIYZLC-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.45
Rot. Bonds5

About 2-(2,5-dimethylphenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide

2-(2,5-dimethylphenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 83092748) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID83092748
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-(2,5-dimethylphenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1n[nH]c(NC(=O)COc2cc(C)ccc2C)n1
InChIInChI=1S/C13H16N4O3/c1-8-4-5-9(2)10(6-8)20-7-11(18)14-12-15-13(19-3)17-16-12/h4-6H,7H2,1-3H3,(H2,14,15,16,17,18)
InChIKeyLZQSLWXDWIYZLC-UHFFFAOYSA-N
XLogP1.45
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenoxyacetamide
CID 83093509
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2,4-dimethylbenzamide
CID 83092656
2-(2,5-dimethylphenoxy)-N-(1H-pyrazol-5-yl)acetamide
CID 61393949
2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 807483
N-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 83097711
2-(2,5-dimethylphenoxy)-N-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]acetamide
CID 1012654
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
2-(2,5-dimethylphenoxy)-N-(5-fluoro-2-methylphenyl)acetamide
CID 35728477
2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093707
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-phenylacetamide
CID 83102734
methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603304

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide (CID 83092748) is 2-(2,5-dimethylphenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide is COc1n[nH]c(NC(=O)COc2cc(C)ccc2C)n1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is LZQSLWXDWIYZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-8-4-5-9(2)10(6-8)20-7-11(18)14-12-15-13(19-3)17-16-12/h4-6H,7H2,1-3H3,(H2,14,15,16,17,18).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
2-(2,5-dimethylphenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 276.30 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 83092748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).