5-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(4-methoxy-3-methylbenzoyl)pyrrolidine-2,3-dione

C25H30N2O6 — CID 4758228

IUPAC5-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(4-methoxy-3-methylbenzoyl)pyrrolidine-2,3-dione
SMILESCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)C2c2cccc(OC)c2OC)cc1C
InChIInChI=1S/C25H30N2O6/c1-15-14-16(10-11-18(15)31-4)22(28)20-21(17-8-7-9-19(32-5)24(17)33-6)27(13-12-26(2)3)25(30)23(20)29/h7-11,14,20-21H,12-13H2,1-6H3
InChIKeyOCJUSFPOARESAA-UHFFFAOYSA-N
MW454.52 g/mol
LogP2.53
Rot. Bonds9

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

5-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(4-methoxy-3-methylbenzoyl)pyrrolidine-2,3-dione (PubChem CID 4758228) has the molecular formula C25H30N2O6 and a molecular weight of 454.52 g/mol. Its IUPAC name is 5-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(4-methoxy-3-methylbenzoyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(4-methoxy-3-methylbenzoyl)pyrrolidine-2,3-dione
PubChem CID4758228
Molecular FormulaC25H30N2O6
Molecular Weight454.52 g/mol
Exact Mass454.21
IUPAC Name5-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(4-methoxy-3-methylbenzoyl)pyrrolidine-2,3-dione
SMILESCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)C2c2cccc(OC)c2OC)cc1C
InChIInChI=1S/C25H30N2O6/c1-15-14-16(10-11-18(15)31-4)22(28)20-21(17-8-7-9-19(32-5)24(17)33-6)27(13-12-26(2)3)25(30)23(20)29/h7-11,14,20-21H,12-13H2,1-6H3
InChIKeyOCJUSFPOARESAA-UHFFFAOYSA-N
XLogP2.53
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dimethylamino)ethyl]-4-(3-methyl-4-phenylmethoxybenzoyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 91897254
5-(2,3-dimethoxyphenyl)-4-(4-methoxy-2-methylbenzoyl)-1-(2-morpholin-4-ium-4-ylethyl)pyrrolidine-2,3-dione
CID 4757694
5-(2,4-dimethoxyphenyl)-4-(4-methoxy-3-methylbenzoyl)-1-(2-morpholin-4-ium-4-ylethyl)pyrrolidine-2,3-dione
CID 4758438
2-[2-(3,4-dimethoxyphenyl)-3-(4-methoxy-3-methylbenzoyl)-4,5-dioxopyrrolidin-1-yl]ethyl-diethylazanium
CID 4758517
4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-5-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]pyrrolidine-2,3-dione
CID 661905
1-[2-(dimethylamino)ethyl]-4-(2,5-dimethylbenzoyl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 4115572
5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)pyrrolidine-2,3-dione
CID 44510473
(4Z,5R)-5-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 6989165
1-[2-(dimethylamino)ethyl]-4-(4-fluorobenzoyl)-5-phenylpyrrolidine-2,3-dione
CID 4056654
1-[3-(dimethylamino)propyl]-4-(3-methoxybenzoyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 4752919
5-(4-fluorophenyl)-4-(4-methoxy-3-methylbenzoyl)-1-(2-morpholin-4-ium-4-ylethyl)pyrrolidine-2,3-dione
CID 4758406
3-[2-(3,4-dichlorophenyl)-3-(4-methoxy-3-methylbenzoyl)-4,5-dioxopyrrolidin-1-yl]propyl-dimethylazanium
CID 4751542

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(4-methoxy-3-methylbenzoyl)pyrrolidine-2,3-dione?
The IUPAC name of 5-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(4-methoxy-3-methylbenzoyl)pyrrolidine-2,3-dione (CID 4758228) is 5-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(4-methoxy-3-methylbenzoyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 5-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(4-methoxy-3-methylbenzoyl)pyrrolidine-2,3-dione?
The canonical SMILES for 5-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(4-methoxy-3-methylbenzoyl)pyrrolidine-2,3-dione is COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)C2c2cccc(OC)c2OC)cc1C.
What is the InChIKey of 5-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(4-methoxy-3-methylbenzoyl)pyrrolidine-2,3-dione?
The InChIKey is OCJUSFPOARESAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O6/c1-15-14-16(10-11-18(15)31-4)22(28)20-21(17-8-7-9-19(32-5)24(17)33-6)27(13-12-26(2)3)25(30)23(20)29/h7-11,14,20-21H,12-13H2,1-6H3.
What are the key properties of 5-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(4-methoxy-3-methylbenzoyl)pyrrolidine-2,3-dione?
5-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(4-methoxy-3-methylbenzoyl)pyrrolidine-2,3-dione has a molecular weight of 454.52 g/mol, XLogP of 2.53, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(4-methoxy-3-methylbenzoyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 4758228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).