2-(4-bromo-2-tert-butylphenoxy)-N-(2-ethoxyphenyl)acetamide

C20H24BrNO3 — CID 1184481

IUPAC2-(4-bromo-2-tert-butylphenoxy)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)COc1ccc(Br)cc1C(C)(C)C
InChIInChI=1S/C20H24BrNO3/c1-5-24-18-9-7-6-8-16(18)22-19(23)13-25-17-11-10-14(21)12-15(17)20(2,3)4/h6-12H,5,13H2,1-4H3,(H,22,23)
InChIKeyXUUMHQZLPPOLCJ-UHFFFAOYSA-N
MW406.32 g/mol
LogP5.16
Rot. Bonds6

About 2-(4-bromo-2-tert-butylphenoxy)-N-(2-ethoxyphenyl)acetamide

2-(4-bromo-2-tert-butylphenoxy)-N-(2-ethoxyphenyl)acetamide (PubChem CID 1184481) has the molecular formula C20H24BrNO3 and a molecular weight of 406.32 g/mol. Its IUPAC name is 2-(4-bromo-2-tert-butylphenoxy)-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-tert-butylphenoxy)-N-(2-ethoxyphenyl)acetamide
PubChem CID1184481
Molecular FormulaC20H24BrNO3
Molecular Weight406.32 g/mol
Exact Mass405.09
IUPAC Name2-(4-bromo-2-tert-butylphenoxy)-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)COc1ccc(Br)cc1C(C)(C)C
InChIInChI=1S/C20H24BrNO3/c1-5-24-18-9-7-6-8-16(18)22-19(23)13-25-17-11-10-14(21)12-15(17)20(2,3)4/h6-12H,5,13H2,1-4H3,(H,22,23)
InChIKeyXUUMHQZLPPOLCJ-UHFFFAOYSA-N
XLogP5.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.32
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate
CID 19171971
2-(4-bromo-2-tert-butylphenoxy)-N-(4-bromo-2-methylphenyl)acetamide
CID 19227918
2-(4-bromo-2-tert-butylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 17051639
2-(4-bromo-2-tert-butylphenoxy)-N-(4-ethylphenyl)acetamide
CID 19171967
2-(2-bromo-4-chlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1367163
2-(4-bromo-2-tert-butylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide
CID 17051590
2-(4-bromo-2-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 1184414
N-(2-ethoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78768376
N'-[(Z)-[4-[2-[4-bromo-2-(trifluoromethyl)anilino]-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
CID 126181791
[2-(2-ethoxyanilino)-2-oxoethyl] 4-bromo-2-fluorobenzoate
CID 9387802
2-(4-bromo-2-tert-butylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7721430
N-(2-ethoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 3891399

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-tert-butylphenoxy)-N-(2-ethoxyphenyl)acetamide (CID 1184481) is 2-(4-bromo-2-tert-butylphenoxy)-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-tert-butylphenoxy)-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-tert-butylphenoxy)-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)COc1ccc(Br)cc1C(C)(C)C.
What is the InChIKey of 2-(4-bromo-2-tert-butylphenoxy)-N-(2-ethoxyphenyl)acetamide?
The InChIKey is XUUMHQZLPPOLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO3/c1-5-24-18-9-7-6-8-16(18)22-19(23)13-25-17-11-10-14(21)12-15(17)20(2,3)4/h6-12H,5,13H2,1-4H3,(H,22,23).
What are the key properties of 2-(4-bromo-2-tert-butylphenoxy)-N-(2-ethoxyphenyl)acetamide?
2-(4-bromo-2-tert-butylphenoxy)-N-(2-ethoxyphenyl)acetamide has a molecular weight of 406.32 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-tert-butylphenoxy)-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 1184481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).