1-[2-(4-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione

C24H26N2O5 — CID 110565949

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccc(OCCN2C(=O)C(c3ccccc3OC)=C(N3CCCC3)C2=O)cc1
InChIInChI=1S/C24H26N2O5/c1-29-17-9-11-18(12-10-17)31-16-15-26-23(27)21(19-7-3-4-8-20(19)30-2)22(24(26)28)25-13-5-6-14-25/h3-4,7-12H,5-6,13-16H2,1-2H3
InChIKeyKOPUNXGOFHUSTL-UHFFFAOYSA-N
MW422.48 g/mol
LogP2.96
Rot. Bonds8

About 1-[2-(4-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione

1-[2-(4-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione (PubChem CID 110565949) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
PubChem CID110565949
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
SMILESCOc1ccc(OCCN2C(=O)C(c3ccccc3OC)=C(N3CCCC3)C2=O)cc1
InChIInChI=1S/C24H26N2O5/c1-29-17-9-11-18(12-10-17)31-16-15-26-23(27)21(19-7-3-4-8-20(19)30-2)22(24(26)28)25-13-5-6-14-25/h3-4,7-12H,5-6,13-16H2,1-2H3
InChIKeyKOPUNXGOFHUSTL-UHFFFAOYSA-N
XLogP2.96
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-[2-(4-methoxyphenoxy)ethyl]-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110583819
3-(2-methoxyphenyl)-1-octyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566520
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566864
1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110566974
3-(2-methoxyphenyl)-1-(pyridin-4-ylmethyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110565691
3-(4-ethylpiperazin-1-yl)-4-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110565444
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110565590
3-(2-methoxyphenyl)-1-(3-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110565180
1-butyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110565797
1-(3-ethoxypropyl)-3-(2-methoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110566432
1-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-yl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110576381
1-ethyl-3-(2-methoxyphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110565875

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione (CID 110565949) is 1-[2-(4-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione is COc1ccc(OCCN2C(=O)C(c3ccccc3OC)=C(N3CCCC3)C2=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
The InChIKey is KOPUNXGOFHUSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-29-17-9-11-18(12-10-17)31-16-15-26-23(27)21(19-7-3-4-8-20(19)30-2)22(24(26)28)25-13-5-6-14-25/h3-4,7-12H,5-6,13-16H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione?
1-[2-(4-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione has a molecular weight of 422.48 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110565949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).