1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C20H22N2O4 — CID 2925676

IUPAC1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)Nc3ccccc3OC)CC2=O)cc1
InChIInChI=1S/C20H22N2O4/c1-3-26-16-10-8-15(9-11-16)22-13-14(12-19(22)23)20(24)21-17-6-4-5-7-18(17)25-2/h4-11,14H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyDSKLKCBGEKIRLO-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.09
Rot. Bonds6

About 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2925676) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2925676
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2CC(C(=O)Nc3ccccc3OC)CC2=O)cc1
InChIInChI=1S/C20H22N2O4/c1-3-26-16-10-8-15(9-11-16)22-13-14(12-19(22)23)20(24)21-17-6-4-5-7-18(17)25-2/h4-11,14H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyDSKLKCBGEKIRLO-UHFFFAOYSA-N
XLogP3.09
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2925676) is 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(N2CC(C(=O)Nc3ccccc3OC)CC2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DSKLKCBGEKIRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-3-26-16-10-8-15(9-11-16)22-13-14(12-19(22)23)20(24)21-17-6-4-5-7-18(17)25-2/h4-11,14H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 354.41 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 1-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2925676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).