2-(4-bromo-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide

C16H23BrN2O3 — CID 1328862

IUPAC2-(4-bromo-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(OCC(=O)NCCN2CCOCC2)cc(C)c1Br
InChIInChI=1S/C16H23BrN2O3/c1-12-9-14(10-13(2)16(12)17)22-11-15(20)18-3-4-19-5-7-21-8-6-19/h9-10H,3-8,11H2,1-2H3,(H,18,20)
InChIKeyYKJYLWCGBOZLLO-UHFFFAOYSA-N
MW371.28 g/mol
LogP1.89
Rot. Bonds6

About 2-(4-bromo-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide

2-(4-bromo-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 1328862) has the molecular formula C16H23BrN2O3 and a molecular weight of 371.28 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID1328862
Molecular FormulaC16H23BrN2O3
Molecular Weight371.28 g/mol
Exact Mass370.09
IUPAC Name2-(4-bromo-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1cc(OCC(=O)NCCN2CCOCC2)cc(C)c1Br
InChIInChI=1S/C16H23BrN2O3/c1-12-9-14(10-13(2)16(12)17)22-11-15(20)18-3-4-19-5-7-21-8-6-19/h9-10H,3-8,11H2,1-2H3,(H,18,20)
InChIKeyYKJYLWCGBOZLLO-UHFFFAOYSA-N
XLogP1.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide (CID 1328862) is 2-(4-bromo-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide is Cc1cc(OCC(=O)NCCN2CCOCC2)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is YKJYLWCGBOZLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O3/c1-12-9-14(10-13(2)16(12)17)22-11-15(20)18-3-4-19-5-7-21-8-6-19/h9-10H,3-8,11H2,1-2H3,(H,18,20).
What are the key properties of 2-(4-bromo-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide?
2-(4-bromo-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 371.28 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 1328862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).