2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide

C19H20N4O3 — CID 55646062

IUPAC2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccccc1-c1nc(NC(=O)COc2c(C)cccc2C)n[nH]1
InChIInChI=1S/C19H20N4O3/c1-12-7-6-8-13(2)17(12)26-11-16(24)20-19-21-18(22-23-19)14-9-4-5-10-15(14)25-3/h4-10H,11H2,1-3H3,(H2,20,21,22,23,24)
InChIKeyZIKVGMZGERYXBW-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.11
Rot. Bonds6

About 2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide

2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 55646062) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID55646062
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccccc1-c1nc(NC(=O)COc2c(C)cccc2C)n[nH]1
InChIInChI=1S/C19H20N4O3/c1-12-7-6-8-13(2)17(12)26-11-16(24)20-19-21-18(22-23-19)14-9-4-5-10-15(14)25-3/h4-10H,11H2,1-3H3,(H2,20,21,22,23,24)
InChIKeyZIKVGMZGERYXBW-UHFFFAOYSA-N
XLogP3.11
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-phenylmethoxyacetamide
CID 60510860
N-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 49196261
(E)-N-[2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]amino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 55850056
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-(1-methylindol-3-yl)propanamide
CID 71709200
N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-methyl-3-nitrobenzamide
CID 55646360
2-(2-methoxyphenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 36579720
3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 55849926
2-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 6457970
7-chloro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 55850180
2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246888
2-(2-fluorophenoxy)-N-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246413
5-chloro-2-fluoro-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 86980358

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 55646062) is 2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide is COc1ccccc1-c1nc(NC(=O)COc2c(C)cccc2C)n[nH]1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is ZIKVGMZGERYXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12-7-6-8-13(2)17(12)26-11-16(24)20-19-21-18(22-23-19)14-9-4-5-10-15(14)25-3/h4-10H,11H2,1-3H3,(H2,20,21,22,23,24).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 352.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 55646062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).