5-(3,4-dimethoxyphenyl)-4-(4-methoxybenzoyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione

C27H25NO7 — CID 58045228

IUPAC5-(3,4-dimethoxyphenyl)-4-(4-methoxybenzoyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
SMILESCOc1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(OC)cc3)C2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H25NO7/c1-32-19-10-5-16(6-11-19)25(29)23-24(17-7-14-21(34-3)22(15-17)35-4)28(27(31)26(23)30)18-8-12-20(33-2)13-9-18/h5-15,23-24H,1-4H3
InChIKeyYMVQDQKIHNLYGT-UHFFFAOYSA-N
MW475.50 g/mol
LogP3.88
Rot. Bonds8

About 5-(3,4-dimethoxyphenyl)-4-(4-methoxybenzoyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione

5-(3,4-dimethoxyphenyl)-4-(4-methoxybenzoyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione (PubChem CID 58045228) has the molecular formula C27H25NO7 and a molecular weight of 475.50 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-(4-methoxybenzoyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-(4-methoxybenzoyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
PubChem CID58045228
Molecular FormulaC27H25NO7
Molecular Weight475.50 g/mol
Exact Mass475.16
IUPAC Name5-(3,4-dimethoxyphenyl)-4-(4-methoxybenzoyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
SMILESCOc1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(OC)cc3)C2c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H25NO7/c1-32-19-10-5-16(6-11-19)25(29)23-24(17-7-14-21(34-3)22(15-17)35-4)28(27(31)26(23)30)18-8-12-20(33-2)13-9-18/h5-15,23-24H,1-4H3
InChIKeyYMVQDQKIHNLYGT-UHFFFAOYSA-N
XLogP3.88
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 53.88
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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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-4-(4-methoxybenzoyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-(4-methoxybenzoyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione (CID 58045228) is 5-(3,4-dimethoxyphenyl)-4-(4-methoxybenzoyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-(4-methoxybenzoyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-(4-methoxybenzoyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione is COc1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(OC)cc3)C2c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-(4-methoxybenzoyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione?
The InChIKey is YMVQDQKIHNLYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO7/c1-32-19-10-5-16(6-11-19)25(29)23-24(17-7-14-21(34-3)22(15-17)35-4)28(27(31)26(23)30)18-8-12-20(33-2)13-9-18/h5-15,23-24H,1-4H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-(4-methoxybenzoyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione?
5-(3,4-dimethoxyphenyl)-4-(4-methoxybenzoyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione has a molecular weight of 475.50 g/mol, XLogP of 3.88, 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)-4-(4-methoxybenzoyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 58045228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).