1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenylethyl)pyrrolidine-2,5-dione

C22H25NO4 — CID 2878572

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenylethyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(CCN2C(=O)CC(C(C)c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C22H25NO4/c1-15(17-7-5-4-6-8-17)18-14-21(24)23(22(18)25)12-11-16-9-10-19(26-2)20(13-16)27-3/h4-10,13,15,18H,11-12,14H2,1-3H3
InChIKeyXSTOQCUMHOKCOX-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.43
Rot. Bonds7

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenylethyl)pyrrolidine-2,5-dione

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 2878572) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenylethyl)pyrrolidine-2,5-dione
PubChem CID2878572
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenylethyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(CCN2C(=O)CC(C(C)c3ccccc3)C2=O)cc1OC
InChIInChI=1S/C22H25NO4/c1-15(17-7-5-4-6-8-17)18-14-21(24)23(22(18)25)12-11-16-9-10-19(26-2)20(13-16)27-3/h4-10,13,15,18H,11-12,14H2,1-3H3
InChIKeyXSTOQCUMHOKCOX-UHFFFAOYSA-N
XLogP3.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenylethyl)pyrrolidine-2,5-dione (CID 2878572) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenylethyl)pyrrolidine-2,5-dione is COc1ccc(CCN2C(=O)CC(C(C)c3ccccc3)C2=O)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is XSTOQCUMHOKCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO4/c1-15(17-7-5-4-6-8-17)18-14-21(24)23(22(18)25)12-11-16-9-10-19(26-2)20(13-16)27-3/h4-10,13,15,18H,11-12,14H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenylethyl)pyrrolidine-2,5-dione?
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 367.45 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2878572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).