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

C26H26N2O5 — CID 2425038

IUPAC[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1Nc1cccc(C)c1C
InChIInChI=1S/C26H26N2O5/c1-4-32-25(30)20-12-6-8-14-23(20)28-24(29)16-33-26(31)19-11-5-7-13-22(19)27-21-15-9-10-17(2)18(21)3/h5-15,27H,4,16H2,1-3H3,(H,28,29)
InChIKeyXSUBUXJFAOPPTN-UHFFFAOYSA-N
MW446.50 g/mol
LogP5.02
Rot. Bonds8

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

[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate (PubChem CID 2425038) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate.

Molecular Properties

Compound Name[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
PubChem CID2425038
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1Nc1cccc(C)c1C
InChIInChI=1S/C26H26N2O5/c1-4-32-25(30)20-12-6-8-14-23(20)28-24(29)16-33-26(31)19-11-5-7-13-22(19)27-21-15-9-10-17(2)18(21)3/h5-15,27H,4,16H2,1-3H3,(H,28,29)
InChIKeyXSUBUXJFAOPPTN-UHFFFAOYSA-N
XLogP5.02
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.50
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,3-dimethylanilino)benzoate
CID 7752683
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,3-dimethylanilino)benzoate
CID 2568929
[2-(3-fluoroanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 7752549
[2-(cyclopropylamino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 2568997
ethyl 2-[[2-[2-(2,3-dimethylanilino)benzoyl]oxyacetyl]amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 3904906
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3395817
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
ethyl 2-(propanoylamino)benzoate
CID 4190428
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2423105
[2-(2-ethylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7840630
ethyl 2-[[2-(3-methylbut-2-enoyloxy)acetyl]amino]benzoate
CID 8760106
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 2488552

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate?
The IUPAC name of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate (CID 2425038) is [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate.
What is the SMILES notation for [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate?
The canonical SMILES for [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate is CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1Nc1cccc(C)c1C.
What is the InChIKey of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate?
The InChIKey is XSUBUXJFAOPPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-4-32-25(30)20-12-6-8-14-23(20)28-24(29)16-33-26(31)19-11-5-7-13-22(19)27-21-15-9-10-17(2)18(21)3/h5-15,27H,4,16H2,1-3H3,(H,28,29).
What are the key properties of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate?
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate has a molecular weight of 446.50 g/mol, XLogP of 5.02, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate is sourced from PubChem (CID 2425038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).