2-(cyclopentanecarbonyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide

C26H27N3O4 — CID 23851544

IUPAC2-(cyclopentanecarbonyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide
SMILESCc1ccc(C2C3C(=O)N(c4ccccc4)C(=O)C3C(C(N)=O)N2C(=O)C2CCCC2)cc1
InChIInChI=1S/C26H27N3O4/c1-15-11-13-16(14-12-15)21-19-20(26(33)28(25(19)32)18-9-3-2-4-10-18)22(23(27)30)29(21)24(31)17-7-5-6-8-17/h2-4,9-14,17,19-22H,5-8H2,1H3,(H2,27,30)
InChIKeyDKTIZIIPSHDAAZ-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.73
Rot. Bonds4

About 2-(cyclopentanecarbonyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide

2-(cyclopentanecarbonyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide (PubChem CID 23851544) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-(cyclopentanecarbonyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopentanecarbonyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide
PubChem CID23851544
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name2-(cyclopentanecarbonyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide
SMILESCc1ccc(C2C3C(=O)N(c4ccccc4)C(=O)C3C(C(N)=O)N2C(=O)C2CCCC2)cc1
InChIInChI=1S/C26H27N3O4/c1-15-11-13-16(14-12-15)21-19-20(26(33)28(25(19)32)18-9-3-2-4-10-18)22(23(27)30)29(21)24(31)17-7-5-6-8-17/h2-4,9-14,17,19-22H,5-8H2,1H3,(H2,27,30)
InChIKeyDKTIZIIPSHDAAZ-UHFFFAOYSA-N
XLogP2.73
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(cyclopentanecarbonyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide?
The IUPAC name of 2-(cyclopentanecarbonyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide (CID 23851544) is 2-(cyclopentanecarbonyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide.
What is the SMILES notation for 2-(cyclopentanecarbonyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide?
The canonical SMILES for 2-(cyclopentanecarbonyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide is Cc1ccc(C2C3C(=O)N(c4ccccc4)C(=O)C3C(C(N)=O)N2C(=O)C2CCCC2)cc1.
What is the InChIKey of 2-(cyclopentanecarbonyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide?
The InChIKey is DKTIZIIPSHDAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-15-11-13-16(14-12-15)21-19-20(26(33)28(25(19)32)18-9-3-2-4-10-18)22(23(27)30)29(21)24(31)17-7-5-6-8-17/h2-4,9-14,17,19-22H,5-8H2,1H3,(H2,27,30).
What are the key properties of 2-(cyclopentanecarbonyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide?
2-(cyclopentanecarbonyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentanecarbonyl)-1-(4-methylphenyl)-4,6-dioxo-5-phenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxamide is sourced from PubChem (CID 23851544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).