[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate

C26H24N2O6 — CID 2706272

IUPAC[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)N(C)c1ccccc1
InChIInChI=1S/C26H24N2O6/c1-3-33-26(32)21-15-9-10-16-22(21)27-23(29)17-34-25(31)20-14-8-7-13-19(20)24(30)28(2)18-11-5-4-6-12-18/h4-16H,3,17H2,1-2H3,(H,27,29)
InChIKeyBKJGLHFPZROGFZ-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.94
Rot. Bonds8

About [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate

[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate (PubChem CID 2706272) has the molecular formula C26H24N2O6 and a molecular weight of 460.49 g/mol. Its IUPAC name is [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate.

Molecular Properties

Compound Name[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
PubChem CID2706272
Molecular FormulaC26H24N2O6
Molecular Weight460.49 g/mol
Exact Mass460.16
IUPAC Name[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)N(C)c1ccccc1
InChIInChI=1S/C26H24N2O6/c1-3-33-26(32)21-15-9-10-16-22(21)27-23(29)17-34-25(31)20-14-8-7-13-19(20)24(30)28(2)18-11-5-4-6-12-18/h4-16H,3,17H2,1-2H3,(H,27,29)
InChIKeyBKJGLHFPZROGFZ-UHFFFAOYSA-N
XLogP3.94
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate with MolForge

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Related Compounds

[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 16510879
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 3395817
ethyl 2-[[2-(3-methylbut-2-enoyloxy)acetyl]amino]benzoate
CID 8760106
ethyl 2-[[2-(4-methylbenzoyl)oxyacetyl]amino]benzoate
CID 2506632
2-[2-(2-ethoxycarbonylanilino)-2-oxoethoxy]acetic acid
CID 60662085
[2-oxo-2-(prop-2-enylamino)ethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 2685461
ethyl 2-[[2,2-dimethyl-3-(N-methylanilino)-3-oxopropanoyl]amino]benzoate
CID 108967621
ethyl 2-(propanoylamino)benzoate
CID 4190428
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2423105
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate
CID 46543957
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate
CID 2425038
ethyl 2-[[2-(3,3-dimethylbutanoyloxy)acetyl]amino]benzoate
CID 2348289

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate?
The IUPAC name of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate (CID 2706272) is [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate.
What is the SMILES notation for [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate?
The canonical SMILES for [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate is CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)N(C)c1ccccc1.
What is the InChIKey of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate?
The InChIKey is BKJGLHFPZROGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6/c1-3-33-26(32)21-15-9-10-16-22(21)27-23(29)17-34-25(31)20-14-8-7-13-19(20)24(30)28(2)18-11-5-4-6-12-18/h4-16H,3,17H2,1-2H3,(H,27,29).
What are the key properties of [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate?
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate has a molecular weight of 460.49 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[methyl(phenyl)carbamoyl]benzoate is sourced from PubChem (CID 2706272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).