2-(4-benzoylphenoxy)-N-cyclohexylacetamide

C21H23NO3 — CID 2592797

IUPAC2-(4-benzoylphenoxy)-N-cyclohexylacetamide
SMILESO=C(COc1ccc(C(=O)c2ccccc2)cc1)NC1CCCCC1
InChIInChI=1S/C21H23NO3/c23-20(22-18-9-5-2-6-10-18)15-25-19-13-11-17(12-14-19)21(24)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2,(H,22,23)
InChIKeyOZASRIDZANFMKE-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.75
Rot. Bonds6

About 2-(4-benzoylphenoxy)-N-cyclohexylacetamide

2-(4-benzoylphenoxy)-N-cyclohexylacetamide (PubChem CID 2592797) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-cyclohexylacetamide
PubChem CID2592797
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name2-(4-benzoylphenoxy)-N-cyclohexylacetamide
SMILESO=C(COc1ccc(C(=O)c2ccccc2)cc1)NC1CCCCC1
InChIInChI=1S/C21H23NO3/c23-20(22-18-9-5-2-6-10-18)15-25-19-13-11-17(12-14-19)21(24)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2,(H,22,23)
InChIKeyOZASRIDZANFMKE-UHFFFAOYSA-N
XLogP3.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-cyclohexylacetamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N-cyclohexylacetamide (CID 2592797) is 2-(4-benzoylphenoxy)-N-cyclohexylacetamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-cyclohexylacetamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-cyclohexylacetamide is O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC1CCCCC1.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-cyclohexylacetamide?
The InChIKey is OZASRIDZANFMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c23-20(22-18-9-5-2-6-10-18)15-25-19-13-11-17(12-14-19)21(24)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2,(H,22,23).
What are the key properties of 2-(4-benzoylphenoxy)-N-cyclohexylacetamide?
2-(4-benzoylphenoxy)-N-cyclohexylacetamide has a molecular weight of 337.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-N-cyclohexylacetamide is sourced from PubChem (CID 2592797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).