2-(4-bromo-3,5-dimethylphenoxy)-N,N-di(propan-2-yl)acetamide

C16H24BrNO2 — CID 803237

IUPAC2-(4-bromo-3,5-dimethylphenoxy)-N,N-di(propan-2-yl)acetamide
SMILESCc1cc(OCC(=O)N(C(C)C)C(C)C)cc(C)c1Br
InChIInChI=1S/C16H24BrNO2/c1-10(2)18(11(3)4)15(19)9-20-14-7-12(5)16(17)13(6)8-14/h7-8,10-11H,9H2,1-6H3
InChIKeyVQPZCFLICWEFKS-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.09
Rot. Bonds5

About 2-(4-bromo-3,5-dimethylphenoxy)-N,N-di(propan-2-yl)acetamide

2-(4-bromo-3,5-dimethylphenoxy)-N,N-di(propan-2-yl)acetamide (PubChem CID 803237) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenoxy)-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenoxy)-N,N-di(propan-2-yl)acetamide
PubChem CID803237
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name2-(4-bromo-3,5-dimethylphenoxy)-N,N-di(propan-2-yl)acetamide
SMILESCc1cc(OCC(=O)N(C(C)C)C(C)C)cc(C)c1Br
InChIInChI=1S/C16H24BrNO2/c1-10(2)18(11(3)4)15(19)9-20-14-7-12(5)16(17)13(6)8-14/h7-8,10-11H,9H2,1-6H3
InChIKeyVQPZCFLICWEFKS-UHFFFAOYSA-N
XLogP4.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N,N-di(propan-2-yl)acetamide (CID 803237) is 2-(4-bromo-3,5-dimethylphenoxy)-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenoxy)-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenoxy)-N,N-di(propan-2-yl)acetamide is Cc1cc(OCC(=O)N(C(C)C)C(C)C)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenoxy)-N,N-di(propan-2-yl)acetamide?
The InChIKey is VQPZCFLICWEFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-10(2)18(11(3)4)15(19)9-20-14-7-12(5)16(17)13(6)8-14/h7-8,10-11H,9H2,1-6H3.
What are the key properties of 2-(4-bromo-3,5-dimethylphenoxy)-N,N-di(propan-2-yl)acetamide?
2-(4-bromo-3,5-dimethylphenoxy)-N,N-di(propan-2-yl)acetamide has a molecular weight of 342.28 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenoxy)-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 803237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).