2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-ethoxyphenyl)acetamide

C15H20N6O3 — CID 112522698

IUPAC2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1cc(NC(=O)N(C)C)nn1
InChIInChI=1S/C15H20N6O3/c1-4-24-12-8-6-5-7-11(12)16-14(22)10-21-9-13(18-19-21)17-15(23)20(2)3/h5-9H,4,10H2,1-3H3,(H,16,22)(H,17,23)
InChIKeyTWHZRJUDBKQYND-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.41
Rot. Bonds6

About 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-ethoxyphenyl)acetamide

2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 112522698) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-ethoxyphenyl)acetamide
PubChem CID112522698
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1cc(NC(=O)N(C)C)nn1
InChIInChI=1S/C15H20N6O3/c1-4-24-12-8-6-5-7-11(12)16-14(22)10-21-9-13(18-19-21)17-15(23)20(2)3/h5-9H,4,10H2,1-3H3,(H,16,22)(H,17,23)
InChIKeyTWHZRJUDBKQYND-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-aminotriazol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 112522674
2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-ethoxyphenyl)acetamide
CID 112522692
N-(5-chloro-2-methoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-1-yl]acetamide
CID 112520798
2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-oxo-3H-1,3-benzoxazol-7-yl)acetamide
CID 112522829
methyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112524017
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 106227595
2-(4-acetamidotriazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112520710
5-amino-1-[2-(2-ethoxyanilino)-2-oxoethyl]-N-(2-ethoxyphenyl)triazole-4-carboxamide
CID 20853662
ethyl N-[1-[2-(1H-benzimidazol-4-ylamino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112523159
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 116642054
N-[1-[2-(2-fluoroanilino)-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112521311

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-ethoxyphenyl)acetamide (CID 112522698) is 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)Cn1cc(NC(=O)N(C)C)nn1.
What is the InChIKey of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is TWHZRJUDBKQYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c1-4-24-12-8-6-5-7-11(12)16-14(22)10-21-9-13(18-19-21)17-15(23)20(2)3/h5-9H,4,10H2,1-3H3,(H,16,22)(H,17,23).
What are the key properties of 2-[4-(dimethylcarbamoylamino)triazol-1-yl]-N-(2-ethoxyphenyl)acetamide?
2-[4-(dimethylcarbamoylamino)triazol-1-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-1-yl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 112522698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).