2-(4-acetyl-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)acetamide

C14H16N4O3 — CID 82194694

IUPAC2-(4-acetyl-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nnc(C(C)=O)c2C)cc1
InChIInChI=1S/C14H16N4O3/c1-9-14(10(2)19)16-17-18(9)8-13(20)15-11-4-6-12(21-3)7-5-11/h4-7H,8H2,1-3H3,(H,15,20)
InChIKeyIFJPKBITYDCRRQ-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.44
Rot. Bonds5

About 2-(4-acetyl-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)acetamide

2-(4-acetyl-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 82194694) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(4-acetyl-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID82194694
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-(4-acetyl-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nnc(C(C)=O)c2C)cc1
InChIInChI=1S/C14H16N4O3/c1-9-14(10(2)19)16-17-18(9)8-13(20)15-11-4-6-12(21-3)7-5-11/h4-7H,8H2,1-3H3,(H,15,20)
InChIKeyIFJPKBITYDCRRQ-UHFFFAOYSA-N
XLogP1.44
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-anilino-2-oxoethyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 75528046
1-[2-(4-chloroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 53335046
dimethyl 1-[2-(4-methoxyanilino)-2-oxoethyl]triazole-4,5-dicarboxylate
CID 4208144
1-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 53366137
1-[2-(4-bromoanilino)-2-oxoethyl]-N-(2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 53335114
5-amino-N-(4-ethoxyphenyl)-1-[2-(4-methoxyanilino)-2-oxoethyl]triazole-4-carboxamide
CID 20853622
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 15943425
2-(4-acetyl-5-methyltriazol-1-yl)-N-(2,6-diethylphenyl)acetamide
CID 94935530
N-(4-ethoxyphenyl)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-5-methyltriazole-4-carboxamide
CID 53365804
methyl 4-[[2-[4-[(4-bromo-3-methylphenyl)carbamoyl]-5-methyltriazol-1-yl]acetyl]amino]benzoate
CID 53335153
N-(2,6-dimethylphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]-5-methyltriazole-4-carboxamide
CID 53366030
2-(ethylamino)-N-(4-methoxyphenyl)acetamide
CID 2113294

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-acetyl-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)acetamide (CID 82194694) is 2-(4-acetyl-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-acetyl-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2nnc(C(C)=O)c2C)cc1.
What is the InChIKey of 2-(4-acetyl-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is IFJPKBITYDCRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-14(10(2)19)16-17-18(9)8-13(20)15-11-4-6-12(21-3)7-5-11/h4-7H,8H2,1-3H3,(H,15,20).
What are the key properties of 2-(4-acetyl-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)acetamide?
2-(4-acetyl-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 288.31 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 82194694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).