2-(4-acetyl-5-methyltriazol-1-yl)-N-(2,6-diethylphenyl)acetamide

C17H22N4O2 — CID 94935530

IUPAC2-(4-acetyl-5-methyltriazol-1-yl)-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)Cn1nnc(C(C)=O)c1C
InChIInChI=1S/C17H22N4O2/c1-5-13-8-7-9-14(6-2)17(13)18-15(23)10-21-11(3)16(12(4)22)19-20-21/h7-9H,5-6,10H2,1-4H3,(H,18,23)
InChIKeyKZVAOAISLYGYRA-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.55
Rot. Bonds6

About 2-(4-acetyl-5-methyltriazol-1-yl)-N-(2,6-diethylphenyl)acetamide

2-(4-acetyl-5-methyltriazol-1-yl)-N-(2,6-diethylphenyl)acetamide (PubChem CID 94935530) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(4-acetyl-5-methyltriazol-1-yl)-N-(2,6-diethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-5-methyltriazol-1-yl)-N-(2,6-diethylphenyl)acetamide
PubChem CID94935530
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(4-acetyl-5-methyltriazol-1-yl)-N-(2,6-diethylphenyl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)Cn1nnc(C(C)=O)c1C
InChIInChI=1S/C17H22N4O2/c1-5-13-8-7-9-14(6-2)17(13)18-15(23)10-21-11(3)16(12(4)22)19-20-21/h7-9H,5-6,10H2,1-4H3,(H,18,23)
InChIKeyKZVAOAISLYGYRA-UHFFFAOYSA-N
XLogP2.55
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyltriazole-4-carboxylic acid
CID 62055047
2-(4-acetyl-5-methyltriazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 82194694
N-(2,6-diethylphenyl)-2-(4-iodo-3,5-dimethylpyrazol-1-yl)acetamide
CID 24844187
ethyl 2-(4-acetyl-5-methyltriazol-1-yl)acetate
CID 82202576
1-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-(3-fluoro-4-methylphenyl)-5-methyltriazole-4-carboxamide
CID 53335460
N-(2,6-dimethylphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]-5-methyltriazole-4-carboxamide
CID 53366030
N-(2,6-diethylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508168
1-[2-(2-ethylanilino)-2-oxoethyl]triazole-4,5-dicarboxylic acid
CID 20852247
5-amino-N-(2-ethylphenyl)-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]triazole-4-carboxamide
CID 15990803
1-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 53335473
1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-N-(2-ethylphenyl)-5-methyltriazole-4-carboxamide
CID 53366258
N-(2,6-diethylphenyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 17444231

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-5-methyltriazol-1-yl)-N-(2,6-diethylphenyl)acetamide?
The IUPAC name of 2-(4-acetyl-5-methyltriazol-1-yl)-N-(2,6-diethylphenyl)acetamide (CID 94935530) is 2-(4-acetyl-5-methyltriazol-1-yl)-N-(2,6-diethylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-5-methyltriazol-1-yl)-N-(2,6-diethylphenyl)acetamide?
The canonical SMILES for 2-(4-acetyl-5-methyltriazol-1-yl)-N-(2,6-diethylphenyl)acetamide is CCc1cccc(CC)c1NC(=O)Cn1nnc(C(C)=O)c1C.
What is the InChIKey of 2-(4-acetyl-5-methyltriazol-1-yl)-N-(2,6-diethylphenyl)acetamide?
The InChIKey is KZVAOAISLYGYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-5-13-8-7-9-14(6-2)17(13)18-15(23)10-21-11(3)16(12(4)22)19-20-21/h7-9H,5-6,10H2,1-4H3,(H,18,23).
What are the key properties of 2-(4-acetyl-5-methyltriazol-1-yl)-N-(2,6-diethylphenyl)acetamide?
2-(4-acetyl-5-methyltriazol-1-yl)-N-(2,6-diethylphenyl)acetamide has a molecular weight of 314.39 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-5-methyltriazol-1-yl)-N-(2,6-diethylphenyl)acetamide is sourced from PubChem (CID 94935530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).