2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide

C14H20BrNO2 — CID 833491

IUPAC2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide
SMILESCCc1ccc(OCC(=O)NC(C)(C)C)c(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-5-10-6-7-12(11(15)8-10)18-9-13(17)16-14(2,3)4/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyNELLYZHWVQUSRT-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.31
Rot. Bonds4

About 2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide

2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide (PubChem CID 833491) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide
PubChem CID833491
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide
SMILESCCc1ccc(OCC(=O)NC(C)(C)C)c(Br)c1
InChIInChI=1S/C14H20BrNO2/c1-5-10-6-7-12(11(15)8-10)18-9-13(17)16-14(2,3)4/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyNELLYZHWVQUSRT-UHFFFAOYSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 965908
2-(2-bromo-4-ethylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 988892
2-(2-bromo-4-ethylphenoxy)-N-(1-phenylethyl)acetamide
CID 2942651
1-N',4-N'-bis[2-(2-bromo-4-ethylphenoxy)acetyl]cyclohexane-1,4-dicarbohydrazide
CID 4927256
N'-[2-(4-bromo-2,6-dimethylphenoxy)acetyl]-2-(2-bromo-4-ethylphenoxy)acetohydrazide
CID 3343767
2-(2-bromo-4-ethylphenoxy)-N'-[2-(2,6-dimethylphenoxy)acetyl]acetohydrazide
CID 4504195
N-tert-butyl-2-(4-ethylphenoxy)acetamide
CID 807221
2-(4-bromo-2-chlorophenoxy)-N-tert-butylacetamide
CID 885602
2-(2-bromo-4-ethylphenoxy)-N,N-dimethylacetamide
CID 894150
2-(2-bromo-4-ethylphenoxy)-N-(3-bromophenyl)acetamide
CID 19202087
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-4-fluorobenzohydrazide
CID 4629070
N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-chlorobenzohydrazide
CID 4629077

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide?
The IUPAC name of 2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide (CID 833491) is 2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide.
What is the SMILES notation for 2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide?
The canonical SMILES for 2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide is CCc1ccc(OCC(=O)NC(C)(C)C)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide?
The InChIKey is NELLYZHWVQUSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-5-10-6-7-12(11(15)8-10)18-9-13(17)16-14(2,3)4/h6-8H,5,9H2,1-4H3,(H,16,17).
What are the key properties of 2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide?
2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide has a molecular weight of 314.22 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-ethylphenoxy)-N-tert-butylacetamide is sourced from PubChem (CID 833491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).