2-N-ethyl-1-(4-methoxyphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-2,3-dicarboxamide

C23H24N4O5 — CID 23931702

IUPAC2-N-ethyl-1-(4-methoxyphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-2,3-dicarboxamide
SMILESCCNC(=O)N1C(C(N)=O)C2C(=O)N(c3ccccc3)C(=O)C2C1c1ccc(OC)cc1
InChIInChI=1S/C23H24N4O5/c1-3-25-23(31)27-18(13-9-11-15(32-2)12-10-13)16-17(19(27)20(24)28)22(30)26(21(16)29)14-7-5-4-6-8-14/h4-12,16-19H,3H2,1-2H3,(H2,24,28)(H,25,31)
InChIKeyVYGMYYBVPJMOOR-UHFFFAOYSA-N
MW436.47 g/mol
LogP1.44
Rot. Bonds5

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

2-N-ethyl-1-(4-methoxyphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-2,3-dicarboxamide (PubChem CID 23931702) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-N-ethyl-1-(4-methoxyphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N-ethyl-1-(4-methoxyphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-2,3-dicarboxamide
PubChem CID23931702
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name2-N-ethyl-1-(4-methoxyphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-2,3-dicarboxamide
SMILESCCNC(=O)N1C(C(N)=O)C2C(=O)N(c3ccccc3)C(=O)C2C1c1ccc(OC)cc1
InChIInChI=1S/C23H24N4O5/c1-3-25-23(31)27-18(13-9-11-15(32-2)12-10-13)16-17(19(27)20(24)28)22(30)26(21(16)29)14-7-5-4-6-8-14/h4-12,16-19H,3H2,1-2H3,(H2,24,28)(H,25,31)
InChIKeyVYGMYYBVPJMOOR-UHFFFAOYSA-N
XLogP1.44
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-N-ethyl-1-(4-methoxyphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-2,3-dicarboxamide?
The IUPAC name of 2-N-ethyl-1-(4-methoxyphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-2,3-dicarboxamide (CID 23931702) is 2-N-ethyl-1-(4-methoxyphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-2,3-dicarboxamide.
What is the SMILES notation for 2-N-ethyl-1-(4-methoxyphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-2,3-dicarboxamide?
The canonical SMILES for 2-N-ethyl-1-(4-methoxyphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-2,3-dicarboxamide is CCNC(=O)N1C(C(N)=O)C2C(=O)N(c3ccccc3)C(=O)C2C1c1ccc(OC)cc1.
What is the InChIKey of 2-N-ethyl-1-(4-methoxyphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-2,3-dicarboxamide?
The InChIKey is VYGMYYBVPJMOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-3-25-23(31)27-18(13-9-11-15(32-2)12-10-13)16-17(19(27)20(24)28)22(30)26(21(16)29)14-7-5-4-6-8-14/h4-12,16-19H,3H2,1-2H3,(H2,24,28)(H,25,31).
What are the key properties of 2-N-ethyl-1-(4-methoxyphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-2,3-dicarboxamide?
2-N-ethyl-1-(4-methoxyphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-2,3-dicarboxamide has a molecular weight of 436.47 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-(4-methoxyphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-2,3-dicarboxamide is sourced from PubChem (CID 23931702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).