2-(2-bromo-4-methylphenoxy)-N,N-bis(2-methylpropyl)acetamide

C17H26BrNO2 — CID 19169501

IUPAC2-(2-bromo-4-methylphenoxy)-N,N-bis(2-methylpropyl)acetamide
SMILESCc1ccc(OCC(=O)N(CC(C)C)CC(C)C)c(Br)c1
InChIInChI=1S/C17H26BrNO2/c1-12(2)9-19(10-13(3)4)17(20)11-21-16-7-6-14(5)8-15(16)18/h6-8,12-13H,9-11H2,1-5H3
InChIKeyMTGCABVCXCCAAG-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.28
Rot. Bonds7

About 2-(2-bromo-4-methylphenoxy)-N,N-bis(2-methylpropyl)acetamide

2-(2-bromo-4-methylphenoxy)-N,N-bis(2-methylpropyl)acetamide (PubChem CID 19169501) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N,N-bis(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N,N-bis(2-methylpropyl)acetamide
PubChem CID19169501
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name2-(2-bromo-4-methylphenoxy)-N,N-bis(2-methylpropyl)acetamide
SMILESCc1ccc(OCC(=O)N(CC(C)C)CC(C)C)c(Br)c1
InChIInChI=1S/C17H26BrNO2/c1-12(2)9-19(10-13(3)4)17(20)11-21-16-7-6-14(5)8-15(16)18/h6-8,12-13H,9-11H2,1-5H3
InChIKeyMTGCABVCXCCAAG-UHFFFAOYSA-N
XLogP4.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 965418
2-(2-bromo-4-methylphenoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)acetamide
CID 107483037
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxyethyl)-N-propylacetamide
CID 60682396
2-(2-bromo-4-methylphenoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79252821
1-(2-bromo-4-methylphenoxy)butan-2-one
CID 62040640
methyl 3-[[2-(2-bromo-4-methylphenoxy)acetyl]-methylamino]propanoate
CID 61031824
2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 7949226
(4-propan-2-ylphenyl) 2-(2-bromo-4-methylphenoxy)acetate
CID 5208741
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
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide
CID 4634264

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N,N-bis(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N,N-bis(2-methylpropyl)acetamide (CID 19169501) is 2-(2-bromo-4-methylphenoxy)-N,N-bis(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N,N-bis(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N,N-bis(2-methylpropyl)acetamide is Cc1ccc(OCC(=O)N(CC(C)C)CC(C)C)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N,N-bis(2-methylpropyl)acetamide?
The InChIKey is MTGCABVCXCCAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-12(2)9-19(10-13(3)4)17(20)11-21-16-7-6-14(5)8-15(16)18/h6-8,12-13H,9-11H2,1-5H3.
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N,N-bis(2-methylpropyl)acetamide?
2-(2-bromo-4-methylphenoxy)-N,N-bis(2-methylpropyl)acetamide has a molecular weight of 356.30 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N,N-bis(2-methylpropyl)acetamide is sourced from PubChem (CID 19169501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).