[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate

C18H20N2O3 — CID 2542958

IUPAC[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H20N2O3/c1-12-8-9-13(2)16(10-12)20-17(21)11-23-18(22)14-6-4-5-7-15(14)19-3/h4-10,19H,11H2,1-3H3,(H,20,21)
InChIKeyJBLYKOWLUPHEME-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.14
Rot. Bonds5

About [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate

[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate (PubChem CID 2542958) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate.

Molecular Properties

Compound Name[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate
PubChem CID2542958
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate
SMILESCNc1ccccc1C(=O)OCC(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C18H20N2O3/c1-12-8-9-13(2)16(10-12)20-17(21)11-23-18(22)14-6-4-5-7-15(14)19-3/h4-10,19H,11H2,1-3H3,(H,20,21)
InChIKeyJBLYKOWLUPHEME-UHFFFAOYSA-N
XLogP3.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,5-dimethylanilino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 7982581
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2335829
[2-(4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 2542886
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7671109
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949403
ethyl 2-[(2,5-dimethylphenyl)carbamoylamino]benzoate
CID 108991348
[2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2353601
[2-(2-bromoanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2520073
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628830
[2-(2-methoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519990
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7953752
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573641

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate?
The IUPAC name of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate (CID 2542958) is [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate.
What is the SMILES notation for [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate?
The canonical SMILES for [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate is CNc1ccccc1C(=O)OCC(=O)Nc1cc(C)ccc1C.
What is the InChIKey of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate?
The InChIKey is JBLYKOWLUPHEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-8-9-13(2)16(10-12)20-17(21)11-23-18(22)14-6-4-5-7-15(14)19-3/h4-10,19H,11H2,1-3H3,(H,20,21).
What are the key properties of [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate?
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate has a molecular weight of 312.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylanilino)-2-oxoethyl] 2-(methylamino)benzoate is sourced from PubChem (CID 2542958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).