[2-(2-methylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

C22H24N2O4 — CID 4803221

IUPAC[2-(2-methylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccc(N2CC(C(=O)OCC(=O)Nc3ccccc3C)CC2=O)cc1
InChIInChI=1S/C22H24N2O4/c1-3-16-8-10-18(11-9-16)24-13-17(12-21(24)26)22(27)28-14-20(25)23-19-7-5-4-6-15(19)2/h4-11,17H,3,12-14H2,1-2H3,(H,23,25)
InChIKeyBKLSKFZSTHTOCE-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.09
Rot. Bonds6

About [2-(2-methylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

[2-(2-methylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 4803221) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID4803221
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccc(N2CC(C(=O)OCC(=O)Nc3ccccc3C)CC2=O)cc1
InChIInChI=1S/C22H24N2O4/c1-3-16-8-10-18(11-9-16)24-13-17(12-21(24)26)22(27)28-14-20(25)23-19-7-5-4-6-15(19)2/h4-11,17H,3,12-14H2,1-2H3,(H,23,25)
InChIKeyBKLSKFZSTHTOCE-UHFFFAOYSA-N
XLogP3.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 4803221) is [2-(2-methylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is CCc1ccc(N2CC(C(=O)OCC(=O)Nc3ccccc3C)CC2=O)cc1.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is BKLSKFZSTHTOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-16-8-10-18(11-9-16)24-13-17(12-21(24)26)22(27)28-14-20(25)23-19-7-5-4-6-15(19)2/h4-11,17H,3,12-14H2,1-2H3,(H,23,25).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
[2-(2-methylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 380.44 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 4803221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).