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

C15H20N6O4 — CID 112521464

IUPACN-(2,4-dimethoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2ncc(NC(=O)N(C)C)n2)c(OC)c1
InChIInChI=1S/C15H20N6O4/c1-20(2)15(23)18-13-8-16-21(19-13)9-14(22)17-11-6-5-10(24-3)7-12(11)25-4/h5-8H,9H2,1-4H3,(H,17,22)(H,18,19,23)
InChIKeyPYFHBVRQASTTRV-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.03
Rot. Bonds6

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

N-(2,4-dimethoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide (PubChem CID 112521464) has the molecular formula C15H20N6O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
PubChem CID112521464
Molecular FormulaC15H20N6O4
Molecular Weight348.36 g/mol
Exact Mass348.15
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2ncc(NC(=O)N(C)C)n2)c(OC)c1
InChIInChI=1S/C15H20N6O4/c1-20(2)15(23)18-13-8-16-21(19-13)9-14(22)17-11-6-5-10(24-3)7-12(11)25-4/h5-8H,9H2,1-4H3,(H,17,22)(H,18,19,23)
InChIKeyPYFHBVRQASTTRV-UHFFFAOYSA-N
XLogP1.03
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-acetamidotriazol-2-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 112521461
2-[4-(dimethylcarbamoylamino)triazol-2-yl]-N-(2-ethoxyphenyl)acetamide
CID 112522692
N-(2,4-dichlorophenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
CID 112523975
2-(4-aminotriazol-2-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 112520898
N-(2,4-dimethoxyphenyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 749626
N-(1H-benzimidazol-2-yl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
CID 112528053
N-(2,4-dimethoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128117
N-(2,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 7490967
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531166
methyl 1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241487
N-(2,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090783
N-(2,4-dimethoxyphenyl)-2-[methyl(propyl)amino]acetamide
CID 47085287

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide (CID 112521464) is N-(2,4-dimethoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide is COc1ccc(NC(=O)Cn2ncc(NC(=O)N(C)C)n2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide?
The InChIKey is PYFHBVRQASTTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O4/c1-20(2)15(23)18-13-8-16-21(19-13)9-14(22)17-11-6-5-10(24-3)7-12(11)25-4/h5-8H,9H2,1-4H3,(H,17,22)(H,18,19,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide has a molecular weight of 348.36 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide is sourced from PubChem (CID 112521464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).