2-(2-methoxyphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide

C18H18N4O3 — CID 9247113

IUPAC2-(2-methoxyphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1n[nH]c(-c2ccc(C)cc2)n1
InChIInChI=1S/C18H18N4O3/c1-12-7-9-13(10-8-12)17-20-18(22-21-17)19-16(23)11-25-15-6-4-3-5-14(15)24-2/h3-10H,11H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyBOAOVUXOZUXRMJ-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.81
Rot. Bonds6

About 2-(2-methoxyphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide

2-(2-methoxyphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide (PubChem CID 9247113) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide
PubChem CID9247113
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-(2-methoxyphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide
SMILESCOc1ccccc1OCC(=O)Nc1n[nH]c(-c2ccc(C)cc2)n1
InChIInChI=1S/C18H18N4O3/c1-12-7-9-13(10-8-12)17-20-18(22-21-17)19-16(23)11-25-15-6-4-3-5-14(15)24-2/h3-10H,11H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyBOAOVUXOZUXRMJ-UHFFFAOYSA-N
XLogP2.81
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide (CID 9247113) is 2-(2-methoxyphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide is COc1ccccc1OCC(=O)Nc1n[nH]c(-c2ccc(C)cc2)n1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
The InChIKey is BOAOVUXOZUXRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12-7-9-13(10-8-12)17-20-18(22-21-17)19-16(23)11-25-15-6-4-3-5-14(15)24-2/h3-10H,11H2,1-2H3,(H2,19,20,21,22,23).
What are the key properties of 2-(2-methoxyphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide?
2-(2-methoxyphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide has a molecular weight of 338.37 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 9247113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).