2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-ethoxyphenyl)acetamide

C15H20N6O3 — CID 112522692

IUPAC2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1ncc(NC(=O)N(C)C)n1
InChIInChI=1S/C15H20N6O3/c1-4-24-12-8-6-5-7-11(12)17-14(22)10-21-16-9-13(19-21)18-15(23)20(2)3/h5-9H,4,10H2,1-3H3,(H,17,22)(H,18,19,23)
InChIKeyGDHLYBVSWGQMQV-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.41
Rot. Bonds6

About 2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-ethoxyphenyl)acetamide

2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 112522692) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-ethoxyphenyl)acetamide
PubChem CID112522692
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1ncc(NC(=O)N(C)C)n1
InChIInChI=1S/C15H20N6O3/c1-4-24-12-8-6-5-7-11(12)17-14(22)10-21-16-9-13(19-21)18-15(23)20(2)3/h5-9H,4,10H2,1-3H3,(H,17,22)(H,18,19,23)
InChIKeyGDHLYBVSWGQMQV-UHFFFAOYSA-N
XLogP1.41
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 112522698
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 30935496
CID 174193763
CID 174193763
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 8010824
3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea
CID 108991523
N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]acetamide
CID 136511842
N-(2-ethoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196148
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 121063547
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
2-(4-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 112522674
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-ethoxyphenyl)acetamide
CID 7699408

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-ethoxyphenyl)acetamide (CID 112522692) is 2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)Cn1ncc(NC(=O)N(C)C)n1.
What is the InChIKey of 2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is GDHLYBVSWGQMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c1-4-24-12-8-6-5-7-11(12)17-14(22)10-21-16-9-13(19-21)18-15(23)20(2)3/h5-9H,4,10H2,1-3H3,(H,17,22)(H,18,19,23).
What are the key properties of 2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-ethoxyphenyl)acetamide?
2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 332.36 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 112522692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).