[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate

C20H24N2O3 — CID 2568929

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate
SMILESCc1cccc(Nc2ccccc2C(=O)OCC(=O)NC(C)C)c1C
InChIInChI=1S/C20H24N2O3/c1-13(2)21-19(23)12-25-20(24)16-9-5-6-10-18(16)22-17-11-7-8-14(3)15(17)4/h5-11,13,22H,12H2,1-4H3,(H,21,23)
InChIKeyQRWMXMXTZCHEIW-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.73
Rot. Bonds6

About [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate

[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate (PubChem CID 2568929) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate
PubChem CID2568929
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate
SMILESCc1cccc(Nc2ccccc2C(=O)OCC(=O)NC(C)C)c1C
InChIInChI=1S/C20H24N2O3/c1-13(2)21-19(23)12-25-20(24)16-9-5-6-10-18(16)22-17-11-7-8-14(3)15(17)4/h5-11,13,22H,12H2,1-4H3,(H,21,23)
InChIKeyQRWMXMXTZCHEIW-UHFFFAOYSA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,3-dimethylanilino)benzoate
CID 7752683
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 2425038
[2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 2568997
2-(2,3-dimethylanilino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27743019
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 2488552
[2-(3-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 7752549
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 7752641
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-anilinobenzoate
CID 7857667
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(propan-2-ylcarbamoylamino)benzoate
CID 46610007
[2-oxo-2-(propan-2-ylamino)ethyl] 2-bromobenzoate
CID 2416256
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 7752584
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2652348

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate (CID 2568929) is [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate is Cc1cccc(Nc2ccccc2C(=O)OCC(=O)NC(C)C)c1C.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate?
The InChIKey is QRWMXMXTZCHEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13(2)21-19(23)12-25-20(24)16-9-5-6-10-18(16)22-17-11-7-8-14(3)15(17)4/h5-11,13,22H,12H2,1-4H3,(H,21,23).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate?
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate has a molecular weight of 340.42 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate is sourced from PubChem (CID 2568929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).