2-(4-benzoylphenoxy)-N-cyclohexyl-N-phenylacetamide

C27H27NO3 — CID 7717735

IUPAC2-(4-benzoylphenoxy)-N-cyclohexyl-N-phenylacetamide
SMILESO=C(c1ccccc1)c1ccc(OCC(=O)N(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C27H27NO3/c29-26(28(23-12-6-2-7-13-23)24-14-8-3-9-15-24)20-31-25-18-16-22(17-19-25)27(30)21-10-4-1-5-11-21/h1-2,4-7,10-13,16-19,24H,3,8-9,14-15,20H2
InChIKeyYKCYXDZKAVTSNI-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.66
Rot. Bonds7

About 2-(4-benzoylphenoxy)-N-cyclohexyl-N-phenylacetamide

2-(4-benzoylphenoxy)-N-cyclohexyl-N-phenylacetamide (PubChem CID 7717735) has the molecular formula C27H27NO3 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-N-cyclohexyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-N-cyclohexyl-N-phenylacetamide
PubChem CID7717735
Molecular FormulaC27H27NO3
Molecular Weight413.52 g/mol
Exact Mass413.20
IUPAC Name2-(4-benzoylphenoxy)-N-cyclohexyl-N-phenylacetamide
SMILESO=C(c1ccccc1)c1ccc(OCC(=O)N(c2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C27H27NO3/c29-26(28(23-12-6-2-7-13-23)24-14-8-3-9-15-24)20-31-25-18-16-22(17-19-25)27(30)21-10-4-1-5-11-21/h1-2,4-7,10-13,16-19,24H,3,8-9,14-15,20H2
InChIKeyYKCYXDZKAVTSNI-UHFFFAOYSA-N
XLogP5.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide
CID 102017753
[2-(N-cyclohexylanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 7902946
[2-(N-cyclohexylanilino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 7873389
N-cyclohexyl-N-phenylcarbamoyl chloride
CID 18329458
N-(4-acetamidophenyl)-N-cyclopropyl-2-phenoxyacetamide
CID 113095099
2-(4-benzoylphenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 9202236
2-(4-chlorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7816188
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-fluorophenoxy)-N-phenylacetamide
CID 7817842
2-(4-benzoylphenoxy)-N,N-bis(2-hydroxyethyl)acetamide
CID 58434171
4-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]-N,N-dimethylbenzamide
CID 78870115
2-(4-tert-butylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 8009492
[(1R)-2-oxocyclohexyl] 2-(4-benzoylphenoxy)acetate
CID 7839651

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-N-cyclohexyl-N-phenylacetamide?
The IUPAC name of 2-(4-benzoylphenoxy)-N-cyclohexyl-N-phenylacetamide (CID 7717735) is 2-(4-benzoylphenoxy)-N-cyclohexyl-N-phenylacetamide.
What is the SMILES notation for 2-(4-benzoylphenoxy)-N-cyclohexyl-N-phenylacetamide?
The canonical SMILES for 2-(4-benzoylphenoxy)-N-cyclohexyl-N-phenylacetamide is O=C(c1ccccc1)c1ccc(OCC(=O)N(c2ccccc2)C2CCCCC2)cc1.
What is the InChIKey of 2-(4-benzoylphenoxy)-N-cyclohexyl-N-phenylacetamide?
The InChIKey is YKCYXDZKAVTSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO3/c29-26(28(23-12-6-2-7-13-23)24-14-8-3-9-15-24)20-31-25-18-16-22(17-19-25)27(30)21-10-4-1-5-11-21/h1-2,4-7,10-13,16-19,24H,3,8-9,14-15,20H2.
What are the key properties of 2-(4-benzoylphenoxy)-N-cyclohexyl-N-phenylacetamide?
2-(4-benzoylphenoxy)-N-cyclohexyl-N-phenylacetamide has a molecular weight of 413.52 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-N-cyclohexyl-N-phenylacetamide is sourced from PubChem (CID 7717735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).