[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(dimethylamino)benzoate

C20H23NO3 — CID 2445149

IUPAC[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(dimethylamino)benzoate
SMILESCc1cc(C)c(C(=O)COC(=O)c2ccc(N(C)C)cc2)c(C)c1
InChIInChI=1S/C20H23NO3/c1-13-10-14(2)19(15(3)11-13)18(22)12-24-20(23)16-6-8-17(9-7-16)21(4)5/h6-11H,12H2,1-5H3
InChIKeyWBFOSCLSATUVSH-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.72
Rot. Bonds5

About [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(dimethylamino)benzoate

[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(dimethylamino)benzoate (PubChem CID 2445149) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(dimethylamino)benzoate
PubChem CID2445149
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(dimethylamino)benzoate
SMILESCc1cc(C)c(C(=O)COC(=O)c2ccc(N(C)C)cc2)c(C)c1
InChIInChI=1S/C20H23NO3/c1-13-10-14(2)19(15(3)11-13)18(22)12-24-20(23)16-6-8-17(9-7-16)21(4)5/h6-11H,12H2,1-5H3
InChIKeyWBFOSCLSATUVSH-UHFFFAOYSA-N
XLogP3.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(dimethylamino)benzoate
CID 8534561
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate
CID 8000290
[2-(3,5-dimethylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519415
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8656703
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7778606
[2-(4-methoxyphenyl)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2346667
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 8807876
2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate
CID 12811915
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-nitrobenzoate
CID 7768454
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909155
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-methoxy-3-nitrobenzoate
CID 2448007
[2-(2,6-dimethylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519354

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(dimethylamino)benzoate?
The IUPAC name of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(dimethylamino)benzoate (CID 2445149) is [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(dimethylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(dimethylamino)benzoate?
The canonical SMILES for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(dimethylamino)benzoate is Cc1cc(C)c(C(=O)COC(=O)c2ccc(N(C)C)cc2)c(C)c1.
What is the InChIKey of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(dimethylamino)benzoate?
The InChIKey is WBFOSCLSATUVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-13-10-14(2)19(15(3)11-13)18(22)12-24-20(23)16-6-8-17(9-7-16)21(4)5/h6-11H,12H2,1-5H3.
What are the key properties of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(dimethylamino)benzoate?
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(dimethylamino)benzoate has a molecular weight of 325.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(dimethylamino)benzoate is sourced from PubChem (CID 2445149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).