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

C15H22BrNO3 — CID 103782277

IUPAC2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
SMILESCc1ccc(OCC(=O)NC(CCO)C(C)C)c(Br)c1
InChIInChI=1S/C15H22BrNO3/c1-10(2)13(6-7-18)17-15(19)9-20-14-5-4-11(3)8-12(14)16/h4-5,8,10,13,18H,6-7,9H2,1-3H3,(H,17,19)
InChIKeyMFOUIQIREYNRBE-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.66
Rot. Bonds7

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

2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide (PubChem CID 103782277) has the molecular formula C15H22BrNO3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
PubChem CID103782277
Molecular FormulaC15H22BrNO3
Molecular Weight344.25 g/mol
Exact Mass343.08
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
SMILESCc1ccc(OCC(=O)NC(CCO)C(C)C)c(Br)c1
InChIInChI=1S/C15H22BrNO3/c1-10(2)13(6-7-18)17-15(19)9-20-14-5-4-11(3)8-12(14)16/h4-5,8,10,13,18H,6-7,9H2,1-3H3,(H,17,19)
InChIKeyMFOUIQIREYNRBE-UHFFFAOYSA-N
XLogP2.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79252821
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
methyl 2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-3-hydroxypropanoate
CID 43407191
2-(3-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103782426
4-amino-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-4-oxobutanoic acid
CID 43242018
N-(1-hydroxy-4-methylpentan-3-yl)-2-phenoxyacetamide
CID 103750843
2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 40795239
2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 7949226
2-(2-bromo-4-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 965418
(2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid
CID 54991092
2-(2-bromo-4-methylphenoxy)-N,N-bis(2-methylpropyl)acetamide
CID 19169501
(2R)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 79011222

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide (CID 103782277) is 2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide is Cc1ccc(OCC(=O)NC(CCO)C(C)C)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
The InChIKey is MFOUIQIREYNRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO3/c1-10(2)13(6-7-18)17-15(19)9-20-14-5-4-11(3)8-12(14)16/h4-5,8,10,13,18H,6-7,9H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide?
2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide has a molecular weight of 344.25 g/mol, XLogP of 2.66, 7 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-4-methylpentan-3-yl)acetamide is sourced from PubChem (CID 103782277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).