2-ethyl-5-(3-methoxybenzoyl)-6-(4-methoxyphenyl)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxamide

C24H25N3O6 — CID 23903300

IUPAC2-ethyl-5-(3-methoxybenzoyl)-6-(4-methoxyphenyl)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxamide
SMILESCCN1C(=O)C2C(C1=O)C(c1ccc(OC)cc1)N(C(=O)c1cccc(OC)c1)C2C(N)=O
InChIInChI=1S/C24H25N3O6/c1-4-26-23(30)17-18(24(26)31)20(21(25)28)27(19(17)13-8-10-15(32-2)11-9-13)22(29)14-6-5-7-16(12-14)33-3/h5-12,17-20H,4H2,1-3H3,(H2,25,28)
InChIKeyASIZJFLIHMFDGB-UHFFFAOYSA-N
MW451.48 g/mol
LogP1.38
Rot. Bonds6

About 2-ethyl-5-(3-methoxybenzoyl)-6-(4-methoxyphenyl)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxamide

2-ethyl-5-(3-methoxybenzoyl)-6-(4-methoxyphenyl)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxamide (PubChem CID 23903300) has the molecular formula C24H25N3O6 and a molecular weight of 451.48 g/mol. Its IUPAC name is 2-ethyl-5-(3-methoxybenzoyl)-6-(4-methoxyphenyl)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-(3-methoxybenzoyl)-6-(4-methoxyphenyl)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxamide
PubChem CID23903300
Molecular FormulaC24H25N3O6
Molecular Weight451.48 g/mol
Exact Mass451.17
IUPAC Name2-ethyl-5-(3-methoxybenzoyl)-6-(4-methoxyphenyl)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxamide
SMILESCCN1C(=O)C2C(C1=O)C(c1ccc(OC)cc1)N(C(=O)c1cccc(OC)c1)C2C(N)=O
InChIInChI=1S/C24H25N3O6/c1-4-26-23(30)17-18(24(26)31)20(21(25)28)27(19(17)13-8-10-15(32-2)11-9-13)22(29)14-6-5-7-16(12-14)33-3/h5-12,17-20H,4H2,1-3H3,(H2,25,28)
InChIKeyASIZJFLIHMFDGB-UHFFFAOYSA-N
XLogP1.38
TPSA119.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(3-methoxybenzoyl)-6-(4-methoxyphenyl)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxamide?
The IUPAC name of 2-ethyl-5-(3-methoxybenzoyl)-6-(4-methoxyphenyl)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxamide (CID 23903300) is 2-ethyl-5-(3-methoxybenzoyl)-6-(4-methoxyphenyl)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxamide.
What is the SMILES notation for 2-ethyl-5-(3-methoxybenzoyl)-6-(4-methoxyphenyl)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxamide?
The canonical SMILES for 2-ethyl-5-(3-methoxybenzoyl)-6-(4-methoxyphenyl)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxamide is CCN1C(=O)C2C(C1=O)C(c1ccc(OC)cc1)N(C(=O)c1cccc(OC)c1)C2C(N)=O.
What is the InChIKey of 2-ethyl-5-(3-methoxybenzoyl)-6-(4-methoxyphenyl)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxamide?
The InChIKey is ASIZJFLIHMFDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6/c1-4-26-23(30)17-18(24(26)31)20(21(25)28)27(19(17)13-8-10-15(32-2)11-9-13)22(29)14-6-5-7-16(12-14)33-3/h5-12,17-20H,4H2,1-3H3,(H2,25,28).
What are the key properties of 2-ethyl-5-(3-methoxybenzoyl)-6-(4-methoxyphenyl)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxamide?
2-ethyl-5-(3-methoxybenzoyl)-6-(4-methoxyphenyl)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(3-methoxybenzoyl)-6-(4-methoxyphenyl)-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-4-carboxamide is sourced from PubChem (CID 23903300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).