2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide

C14H20BrNO3 — CID 79252821

IUPAC2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCc1ccc(OCC(=O)NC(CO)C(C)C)c(Br)c1
InChIInChI=1S/C14H20BrNO3/c1-9(2)12(7-17)16-14(18)8-19-13-5-4-10(3)6-11(13)15/h4-6,9,12,17H,7-8H2,1-3H3,(H,16,18)
InChIKeySYWHZTVNJIXULH-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.27
Rot. Bonds6

About 2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide

2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (PubChem CID 79252821) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
PubChem CID79252821
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
SMILESCc1ccc(OCC(=O)NC(CO)C(C)C)c(Br)c1
InChIInChI=1S/C14H20BrNO3/c1-9(2)12(7-17)16-14(18)8-19-13-5-4-10(3)6-11(13)15/h4-6,9,12,17H,7-8H2,1-3H3,(H,16,18)
InChIKeySYWHZTVNJIXULH-UHFFFAOYSA-N
XLogP2.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103782277
methyl 2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-3-hydroxypropanoate
CID 43407191
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
4-amino-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-4-oxobutanoic acid
CID 43242018
2-(2-bromo-4-methylphenoxy)-N,N-bis(2-methylpropyl)acetamide
CID 19169501
2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 40795239
2-[[3-(2-bromo-4-methylphenoxy)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 79250467
2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 7949226
2-(2-bromo-4-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 965418
(3Z)-3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-[(2S)-butan-2-yl]butanamide
CID 7219126
(2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid
CID 54991092
2-(2-bromo-4-methylphenoxy)-N-[[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 5087700

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide (CID 79252821) is 2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide is Cc1ccc(OCC(=O)NC(CO)C(C)C)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
The InChIKey is SYWHZTVNJIXULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-9(2)12(7-17)16-14(18)8-19-13-5-4-10(3)6-11(13)15/h4-6,9,12,17H,7-8H2,1-3H3,(H,16,18).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide?
2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide has a molecular weight of 330.22 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 79252821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).