[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate

C24H18N2O5 — CID 7521413

IUPAC[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C24H18N2O5/c1-30-23(28)20-12-6-7-13-21(20)26-22(27)15-31-24(29)19-11-5-4-10-18(19)17-9-3-2-8-16(17)14-25/h2-13H,15H2,1H3,(H,26,27)
InChIKeyPKQHVKKYTMPBOH-UHFFFAOYSA-N
MW414.42 g/mol
LogP3.81
Rot. Bonds6

About [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate

[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate (PubChem CID 7521413) has the molecular formula C24H18N2O5 and a molecular weight of 414.42 g/mol. Its IUPAC name is [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate.

Molecular Properties

Compound Name[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate
PubChem CID7521413
Molecular FormulaC24H18N2O5
Molecular Weight414.42 g/mol
Exact Mass414.12
IUPAC Name[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1-c1ccccc1C#N
InChIInChI=1S/C24H18N2O5/c1-30-23(28)20-12-6-7-13-21(20)26-22(27)15-31-24(29)19-11-5-4-10-18(19)17-9-3-2-8-16(17)14-25/h2-13H,15H2,1H3,(H,26,27)
InChIKeyPKQHVKKYTMPBOH-UHFFFAOYSA-N
XLogP3.81
TPSA105.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 8701813
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 7522846
2-oxopropyl 2-(2-cyanophenyl)benzoate
CID 7520288
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 8702055
[2-(2-bromo-4-nitroanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 27704595
[2-oxo-2-(phenylcarbamoylamino)ethyl] 2-(2-cyanophenyl)benzoate
CID 9309799
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 8540007
[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-(2-cyanophenyl)benzoate
CID 8539979
methyl 5-[[2-(2-cyanophenyl)benzoyl]oxymethyl]furan-2-carboxylate
CID 8702041
methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
CID 2629462
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 7235533
[2-(2-cyanoanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855154

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate?
The IUPAC name of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate (CID 7521413) is [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate.
What is the SMILES notation for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate?
The canonical SMILES for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate is COC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1-c1ccccc1C#N.
What is the InChIKey of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate?
The InChIKey is PKQHVKKYTMPBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O5/c1-30-23(28)20-12-6-7-13-21(20)26-22(27)15-31-24(29)19-11-5-4-10-18(19)17-9-3-2-8-16(17)14-25/h2-13H,15H2,1H3,(H,26,27).
What are the key properties of [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate?
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate has a molecular weight of 414.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxycarbonylanilino)-2-oxoethyl] 2-(2-cyanophenyl)benzoate is sourced from PubChem (CID 7521413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).