N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-2-methoxyacetamide

C16H22N4O3 — CID 122132248

IUPACN-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-2-methoxyacetamide
SMILESCCc1c(NC(=O)COC)nnn1CCc1ccc(OC)cc1
InChIInChI=1S/C16H22N4O3/c1-4-14-16(17-15(21)11-22-2)18-19-20(14)10-9-12-5-7-13(23-3)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,17,21)
InChIKeyBKLCIRGLTOQDGY-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.68
Rot. Bonds8

About N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-2-methoxyacetamide

N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-2-methoxyacetamide (PubChem CID 122132248) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-2-methoxyacetamide
PubChem CID122132248
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-2-methoxyacetamide
SMILESCCc1c(NC(=O)COC)nnn1CCc1ccc(OC)cc1
InChIInChI=1S/C16H22N4O3/c1-4-14-16(17-15(21)11-22-2)18-19-20(14)10-9-12-5-7-13(23-3)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,17,21)
InChIKeyBKLCIRGLTOQDGY-UHFFFAOYSA-N
XLogP1.68
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-2-methoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-2-methoxyacetamide (CID 122132248) is N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-2-methoxyacetamide is CCc1c(NC(=O)COC)nnn1CCc1ccc(OC)cc1.
What is the InChIKey of N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-2-methoxyacetamide?
The InChIKey is BKLCIRGLTOQDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-4-14-16(17-15(21)11-22-2)18-19-20(14)10-9-12-5-7-13(23-3)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,17,21).
What are the key properties of N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-2-methoxyacetamide?
N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-2-methoxyacetamide has a molecular weight of 318.38 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-1-[2-(4-methoxyphenyl)ethyl]triazol-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 122132248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).