2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide

C14H20BrNO2 — CID 107284240

IUPAC2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1cc(Br)ccc1C
InChIInChI=1S/C14H20BrNO2/c1-5-14(3,4)16-13(17)9-18-12-8-11(15)7-6-10(12)2/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyLIAYEBMSDIJRNQ-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.44
Rot. Bonds5

About 2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide

2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide (PubChem CID 107284240) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
PubChem CID107284240
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1cc(Br)ccc1C
InChIInChI=1S/C14H20BrNO2/c1-5-14(3,4)16-13(17)9-18-12-8-11(15)7-6-10(12)2/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyLIAYEBMSDIJRNQ-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 60703784
2-(4-bromo-2-cyanophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 80604720
2-(5-carbamothioyl-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 107656260
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 78932283
5-bromo-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82910923
2-(2-bromo-4-methoxyphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 104704642
2-(5-bromo-2-methylphenoxy)-N-cyclopropylacetamide
CID 107284188
methyl 4-(5-bromo-2-methylphenoxy)-2,2-dimethyl-3-oxobutanoate
CID 112752353
2-(2-amino-4-bromo-6-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 79844124
2-(2-chloro-5-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 78770055
5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 60693177
2-(5-bromo-2-methylphenoxy)-N-(4-fluorophenyl)acetamide
CID 107284225

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide (CID 107284240) is 2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)COc1cc(Br)ccc1C.
What is the InChIKey of 2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is LIAYEBMSDIJRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-5-14(3,4)16-13(17)9-18-12-8-11(15)7-6-10(12)2/h6-8H,5,9H2,1-4H3,(H,16,17).
What are the key properties of 2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide?
2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 314.22 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenoxy)-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 107284240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).