2-(2,3-dimethylphenoxy)-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide

C14H18N4O2 — CID 91779093

IUPAC2-(2,3-dimethylphenoxy)-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
SMILESCc1cccc(OCC(=O)NCCn2cncn2)c1C
InChIInChI=1S/C14H18N4O2/c1-11-4-3-5-13(12(11)2)20-8-14(19)16-6-7-18-10-15-9-17-18/h3-5,9-10H,6-8H2,1-2H3,(H,16,19)
InChIKeyJQBPEWJEHAQWMT-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.09
Rot. Bonds6

About 2-(2,3-dimethylphenoxy)-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide

2-(2,3-dimethylphenoxy)-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide (PubChem CID 91779093) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
PubChem CID91779093
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-(2,3-dimethylphenoxy)-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
SMILESCc1cccc(OCC(=O)NCCn2cncn2)c1C
InChIInChI=1S/C14H18N4O2/c1-11-4-3-5-13(12(11)2)20-8-14(19)16-6-7-18-10-15-9-17-18/h3-5,9-10H,6-8H2,1-2H3,(H,16,19)
InChIKeyJQBPEWJEHAQWMT-UHFFFAOYSA-N
XLogP1.09
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide (CID 91779093) is 2-(2,3-dimethylphenoxy)-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide is Cc1cccc(OCC(=O)NCCn2cncn2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
The InChIKey is JQBPEWJEHAQWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-11-4-3-5-13(12(11)2)20-8-14(19)16-6-7-18-10-15-9-17-18/h3-5,9-10H,6-8H2,1-2H3,(H,16,19).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide?
2-(2,3-dimethylphenoxy)-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 91779093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).