[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidobenzoate

C23H25NO4 — CID 18206257

IUPAC[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C23H25NO4/c1-16(25)24-21-9-5-8-20(14-21)23(27)28-15-22(26)19-12-10-18(11-13-19)17-6-3-2-4-7-17/h5,8-14,17H,2-4,6-7,15H2,1H3,(H,24,25)
InChIKeyWUWKHSIWXLBDQL-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.73
Rot. Bonds6

About [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidobenzoate

[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidobenzoate (PubChem CID 18206257) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidobenzoate.

Molecular Properties

Compound Name[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidobenzoate
PubChem CID18206257
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C23H25NO4/c1-16(25)24-21-9-5-8-20(14-21)23(27)28-15-22(26)19-12-10-18(11-13-19)17-6-3-2-4-7-17/h5,8-14,17H,2-4,6-7,15H2,1H3,(H,24,25)
InChIKeyWUWKHSIWXLBDQL-UHFFFAOYSA-N
XLogP4.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-acetamidoanilino)-2-oxoethyl] 4-cyclohexylbenzoate
CID 8538394
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-iodobenzoate
CID 4673675
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-chlorobenzoate
CID 1327389
[2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 4829050
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 18230047
[2-(4-cyclohexylphenyl)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676785
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 3997884
[2-(4-acetamidophenyl)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8520958
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
CID 2582023
[2-(azocan-1-yl)-2-oxoethyl] 3-acetamidobenzoate
CID 17397284
methyl 3-(4-cyclohexylanilino)benzoate
CID 139962922
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 23936818

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidobenzoate?
The IUPAC name of [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidobenzoate (CID 18206257) is [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidobenzoate.
What is the SMILES notation for [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidobenzoate?
The canonical SMILES for [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidobenzoate is CC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c1.
What is the InChIKey of [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidobenzoate?
The InChIKey is WUWKHSIWXLBDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-16(25)24-21-9-5-8-20(14-21)23(27)28-15-22(26)19-12-10-18(11-13-19)17-6-3-2-4-7-17/h5,8-14,17H,2-4,6-7,15H2,1H3,(H,24,25).
What are the key properties of [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidobenzoate?
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidobenzoate has a molecular weight of 379.46 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidobenzoate is sourced from PubChem (CID 18206257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).