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

C20H24N2O3 — CID 8534561

IUPAC[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(dimethylamino)benzoate
SMILESCc1cc(C)c(NC(=O)COC(=O)c2ccc(N(C)C)cc2)c(C)c1
InChIInChI=1S/C20H24N2O3/c1-13-10-14(2)19(15(3)11-13)21-18(23)12-25-20(24)16-6-8-17(9-7-16)22(4)5/h6-11H,12H2,1-5H3,(H,21,23)
InChIKeyUABWNGVWTUGMSG-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.47
Rot. Bonds5

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

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(dimethylamino)benzoate (PubChem CID 8534561) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(dimethylamino)benzoate
PubChem CID8534561
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(dimethylamino)benzoate
SMILESCc1cc(C)c(NC(=O)COC(=O)c2ccc(N(C)C)cc2)c(C)c1
InChIInChI=1S/C20H24N2O3/c1-13-10-14(2)19(15(3)11-13)21-18(23)12-25-20(24)16-6-8-17(9-7-16)22(4)5/h6-11H,12H2,1-5H3,(H,21,23)
InChIKeyUABWNGVWTUGMSG-UHFFFAOYSA-N
XLogP3.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519354
[2-(3,5-dimethylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519415
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 6-methylpyridine-3-carboxylate
CID 71823490
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-methylbenzoate
CID 7695929
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(dimethylamino)benzoate
CID 2445149
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(trifluoromethoxy)benzoate
CID 7796496
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-butylbenzoate
CID 43018163
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519085
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-chlorobenzoate
CID 7483934
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 7744480
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706361
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-formylbenzoate
CID 7669047

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(dimethylamino)benzoate?
The IUPAC name of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(dimethylamino)benzoate (CID 8534561) is [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(dimethylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(dimethylamino)benzoate?
The canonical SMILES for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(dimethylamino)benzoate is Cc1cc(C)c(NC(=O)COC(=O)c2ccc(N(C)C)cc2)c(C)c1.
What is the InChIKey of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(dimethylamino)benzoate?
The InChIKey is UABWNGVWTUGMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-10-14(2)19(15(3)11-13)21-18(23)12-25-20(24)16-6-8-17(9-7-16)22(4)5/h6-11H,12H2,1-5H3,(H,21,23).
What are the key properties of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(dimethylamino)benzoate?
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(dimethylamino)benzoate has a molecular weight of 340.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-(dimethylamino)benzoate is sourced from PubChem (CID 8534561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).