2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide

C14H20BrNO3 — CID 104704642

IUPAC2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1ccc(OC)cc1Br
InChIInChI=1S/C14H20BrNO3/c1-5-14(2,3)16-13(17)9-19-12-7-6-10(18-4)8-11(12)15/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyAETHXPLVGVMCQP-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.14
Rot. Bonds6

About 2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide

2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 104704642) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
PubChem CID104704642
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1ccc(OC)cc1Br
InChIInChI=1S/C14H20BrNO3/c1-5-14(2,3)16-13(17)9-19-12-7-6-10(18-4)8-11(12)15/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyAETHXPLVGVMCQP-UHFFFAOYSA-N
XLogP3.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 60693177
3-bromo-4-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82913922
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 82002849
2-[2-[(1S)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 82002921
2-(2-bromo-4-methoxyphenoxy)acetohydrazide
CID 3936634
2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 107284240
2-(5-amino-2-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 61486316
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
2-[2-bromo-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 61486376
2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 80604720
5-bromo-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82910923
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 78932283

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide (CID 104704642) is 2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)COc1ccc(OC)cc1Br.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is AETHXPLVGVMCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-5-14(2,3)16-13(17)9-19-12-7-6-10(18-4)8-11(12)15/h6-8H,5,9H2,1-4H3,(H,16,17).
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide?
2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 330.22 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 104704642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).