2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide

C18H21NO3 — CID 834898

IUPAC2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)COc1c(C)cccc1C
InChIInChI=1S/C18H21NO3/c1-4-21-16-11-6-5-10-15(16)19-17(20)12-22-18-13(2)8-7-9-14(18)3/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyAMRPRUUCPQOBNF-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.72
Rot. Bonds6

About 2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide

2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide (PubChem CID 834898) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
PubChem CID834898
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)COc1c(C)cccc1C
InChIInChI=1S/C18H21NO3/c1-4-21-16-11-6-5-10-15(16)19-17(20)12-22-18-13(2)8-7-9-14(18)3/h5-11H,4,12H2,1-3H3,(H,19,20)
InChIKeyAMRPRUUCPQOBNF-UHFFFAOYSA-N
XLogP3.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide (CID 834898) is 2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)COc1c(C)cccc1C.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide?
The InChIKey is AMRPRUUCPQOBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-4-21-16-11-6-5-10-15(16)19-17(20)12-22-18-13(2)8-7-9-14(18)3/h5-11H,4,12H2,1-3H3,(H,19,20).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide?
2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 834898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).