2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide

C21H27NO2 — CID 720094

IUPAC2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2ccc(C(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C21H27NO2/c1-14-11-15(2)20(16(3)12-14)22-19(23)13-24-18-9-7-17(8-10-18)21(4,5)6/h7-12H,13H2,1-6H3,(H,22,23)
InChIKeyITVRMNHIWRBUBW-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.93
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide

2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 720094) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID720094
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)COc2ccc(C(C)(C)C)cc2)c(C)c1
InChIInChI=1S/C21H27NO2/c1-14-11-15(2)20(16(3)12-14)22-19(23)13-24-18-9-7-17(8-10-18)21(4,5)6/h7-12H,13H2,1-6H3,(H,22,23)
InChIKeyITVRMNHIWRBUBW-UHFFFAOYSA-N
XLogP4.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide
CID 7931575
2-(4-methylsulfonylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 51174673
2-(4-tert-butylphenoxy)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 802579
2-(4-tert-butylphenoxy)-N'-[2-(2,4-dimethylphenoxy)acetyl]acetohydrazide
CID 4945068
2-(4-chloro-3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 873694
2-(4-tert-butylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 86992670
N-(4-tert-butylphenyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 7913902
N-(2-chloro-4,6-dimethylphenyl)-2-(4-iodophenoxy)acetamide
CID 24607292
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855552
2-[[2-(4-phenoxyphenoxy)acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 26080587
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
CID 8882206

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide (CID 720094) is 2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)COc2ccc(C(C)(C)C)cc2)c(C)c1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is ITVRMNHIWRBUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-14-11-15(2)20(16(3)12-14)22-19(23)13-24-18-9-7-17(8-10-18)21(4,5)6/h7-12H,13H2,1-6H3,(H,22,23).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide?
2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 325.45 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 720094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).