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

C21H24N2O6 — CID 44510473

IUPAC5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)pyrrolidine-2,3-dione
SMILESCOc1ccc(C2C(C(=O)c3ccco3)C(=O)C(=O)N2CCN(C)C)cc1OC
InChIInChI=1S/C21H24N2O6/c1-22(2)9-10-23-18(13-7-8-14(27-3)16(12-13)28-4)17(20(25)21(23)26)19(24)15-6-5-11-29-15/h5-8,11-12,17-18H,9-10H2,1-4H3
InChIKeyFDBZMUUDTPPNSV-UHFFFAOYSA-N
MW400.43 g/mol
LogP1.81
Rot. Bonds8

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

5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)pyrrolidine-2,3-dione (PubChem CID 44510473) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)pyrrolidine-2,3-dione
PubChem CID44510473
Molecular FormulaC21H24N2O6
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Name5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)pyrrolidine-2,3-dione
SMILESCOc1ccc(C2C(C(=O)c3ccco3)C(=O)C(=O)N2CCN(C)C)cc1OC
InChIInChI=1S/C21H24N2O6/c1-22(2)9-10-23-18(13-7-8-14(27-3)16(12-13)28-4)17(20(25)21(23)26)19(24)15-6-5-11-29-15/h5-8,11-12,17-18H,9-10H2,1-4H3
InChIKeyFDBZMUUDTPPNSV-UHFFFAOYSA-N
XLogP1.81
TPSA89.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 51.81
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

5-(3,4-dimethoxyphenyl)-4-(furan-2-carbonyl)-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
CID 91898081
1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-(5-methylfuran-2-yl)pyrrolidine-2,3-dione
CID 5086510
4-(1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
CID 91896461
1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 4746575
(2R)-2-(3,4-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 1322015
(2R)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-2H-pyrrol-5-one
CID 1296989
1-[2-(dimethylamino)ethyl]-4-(2,5-dimethylbenzoyl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 4115572
4-(furan-2-carbonyl)-5-(4-methoxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
CID 4756283
2-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2H-pyrrol-5-one
CID 4912506
1-[2-(dimethylamino)ethyl]-4-(3-methyl-4-phenylmethoxybenzoyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 91897254
5-(2,3-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(4-methoxy-3-methylbenzoyl)pyrrolidine-2,3-dione
CID 4758228
2-[2-(3,4-dimethoxyphenyl)-3-(4-methoxy-3-methylbenzoyl)-4,5-dioxopyrrolidin-1-yl]ethyl-diethylazanium
CID 4758517

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)pyrrolidine-2,3-dione?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)pyrrolidine-2,3-dione (CID 44510473) is 5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)pyrrolidine-2,3-dione?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)pyrrolidine-2,3-dione is COc1ccc(C2C(C(=O)c3ccco3)C(=O)C(=O)N2CCN(C)C)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)pyrrolidine-2,3-dione?
The InChIKey is FDBZMUUDTPPNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6/c1-22(2)9-10-23-18(13-7-8-14(27-3)16(12-13)28-4)17(20(25)21(23)26)19(24)15-6-5-11-29-15/h5-8,11-12,17-18H,9-10H2,1-4H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)pyrrolidine-2,3-dione?
5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)pyrrolidine-2,3-dione has a molecular weight of 400.43 g/mol, XLogP of 1.81, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 44510473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).