[2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate

C20H22N2O3 — CID 2568997

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
SMILESCc1cccc(Nc2ccccc2C(=O)OCC(=O)NC2CC2)c1C
InChIInChI=1S/C20H22N2O3/c1-13-6-5-9-17(14(13)2)22-18-8-4-3-7-16(18)20(24)25-12-19(23)21-15-10-11-15/h3-9,15,22H,10-12H2,1-2H3,(H,21,23)
InChIKeyFKNCLWATQPEPNH-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.48
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate

[2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate (PubChem CID 2568997) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
PubChem CID2568997
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
SMILESCc1cccc(Nc2ccccc2C(=O)OCC(=O)NC2CC2)c1C
InChIInChI=1S/C20H22N2O3/c1-13-6-5-9-17(14(13)2)22-18-8-4-3-7-16(18)20(24)25-12-19(23)21-15-10-11-15/h3-9,15,22H,10-12H2,1-2H3,(H,21,23)
InChIKeyFKNCLWATQPEPNH-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 2488552
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate
CID 2568929
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 2425038
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,3-dimethylanilino)benzoate
CID 7752683
[2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578328
[2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7671223
[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-(cyclopropylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725286
[2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2715031
[2-(oxan-4-ylamino)-2-oxoethyl] 2-amino-3-methylbenzoate
CID 63099058
[2-(cyclopropylamino)-2-oxoethyl] 2-amino-6-methylbenzoate
CID 61321740

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate (CID 2568997) is [2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate is Cc1cccc(Nc2ccccc2C(=O)OCC(=O)NC2CC2)c1C.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate?
The InChIKey is FKNCLWATQPEPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-6-5-9-17(14(13)2)22-18-8-4-3-7-16(18)20(24)25-12-19(23)21-15-10-11-15/h3-9,15,22H,10-12H2,1-2H3,(H,21,23).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate?
[2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate has a molecular weight of 338.41 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate is sourced from PubChem (CID 2568997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).