[2-(4-methoxyphenyl)-2-oxoethyl] 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate

C22H23NO6 — CID 3160062

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCOc1ccc(N2CC(C(=O)OCC(=O)c3ccc(OC)cc3)CC2=O)cc1
InChIInChI=1S/C22H23NO6/c1-3-28-19-10-6-17(7-11-19)23-13-16(12-21(23)25)22(26)29-14-20(24)15-4-8-18(27-2)9-5-15/h4-11,16H,3,12-14H2,1-2H3
InChIKeyNIYSNDXREZUQFW-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.87
Rot. Bonds8

About [2-(4-methoxyphenyl)-2-oxoethyl] 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate

[2-(4-methoxyphenyl)-2-oxoethyl] 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 3160062) has the molecular formula C22H23NO6 and a molecular weight of 397.43 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID3160062
Molecular FormulaC22H23NO6
Molecular Weight397.43 g/mol
Exact Mass397.15
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCOc1ccc(N2CC(C(=O)OCC(=O)c3ccc(OC)cc3)CC2=O)cc1
InChIInChI=1S/C22H23NO6/c1-3-28-19-10-6-17(7-11-19)23-13-16(12-21(23)25)22(26)29-14-20(24)15-4-8-18(27-2)9-5-15/h4-11,16H,3,12-14H2,1-2H3
InChIKeyNIYSNDXREZUQFW-UHFFFAOYSA-N
XLogP2.87
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate (CID 3160062) is [2-(4-methoxyphenyl)-2-oxoethyl] 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate is CCOc1ccc(N2CC(C(=O)OCC(=O)c3ccc(OC)cc3)CC2=O)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is NIYSNDXREZUQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6/c1-3-28-19-10-6-17(7-11-19)23-13-16(12-21(23)25)22(26)29-14-20(24)15-4-8-18(27-2)9-5-15/h4-11,16H,3,12-14H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
[2-(4-methoxyphenyl)-2-oxoethyl] 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 397.43 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 3160062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).