2-(3-methylquinoxalin-2-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide

C20H21N3O2 — CID 2453790

IUPAC2-(3-methylquinoxalin-2-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2nc3ccccc3nc2C)c(C)c1
InChIInChI=1S/C20H21N3O2/c1-12-9-13(2)19(14(3)10-12)23-18(24)11-25-20-15(4)21-16-7-5-6-8-17(16)22-20/h5-10H,11H2,1-4H3,(H,23,24)
InChIKeyBCCOAEYCESHKJS-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.88
Rot. Bonds4

About 2-(3-methylquinoxalin-2-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide

2-(3-methylquinoxalin-2-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 2453790) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(3-methylquinoxalin-2-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methylquinoxalin-2-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID2453790
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(3-methylquinoxalin-2-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2nc3ccccc3nc2C)c(C)c1
InChIInChI=1S/C20H21N3O2/c1-12-9-13(2)19(14(3)10-12)23-18(24)11-25-20-15(4)21-16-7-5-6-8-17(16)22-20/h5-10H,11H2,1-4H3,(H,23,24)
InChIKeyBCCOAEYCESHKJS-UHFFFAOYSA-N
XLogP3.88
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 675140
2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 720094
2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7763070
2-(2-benzylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7899812
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694
2-[3-(hydroxymethyl)phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 110884930
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide
CID 26713872
N-(3,5-dimethylphenyl)-2-(2-methylquinazolin-4-yl)oxyacetamide
CID 46391582
2-(4-chloro-2,6-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7642269
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-hydroxy-2-phenylacetate
CID 16798756
2-(2,6-dimethylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78859856
4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide
CID 7931575

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinoxalin-2-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(3-methylquinoxalin-2-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide (CID 2453790) is 2-(3-methylquinoxalin-2-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-methylquinoxalin-2-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(3-methylquinoxalin-2-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)COc2nc3ccccc3nc2C)c(C)c1.
What is the InChIKey of 2-(3-methylquinoxalin-2-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is BCCOAEYCESHKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-12-9-13(2)19(14(3)10-12)23-18(24)11-25-20-15(4)21-16-7-5-6-8-17(16)22-20/h5-10H,11H2,1-4H3,(H,23,24).
What are the key properties of 2-(3-methylquinoxalin-2-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide?
2-(3-methylquinoxalin-2-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinoxalin-2-yl)oxy-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 2453790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).