N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide

C24H32BrN3O4 — CID 23916700

About N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide

N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide (PubChem CID 23916700) has the molecular formula C24H32BrN3O4 and a molecular weight of 506.44 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
• PubChem CID: 23916700
• Molecular Formula: C24H32BrN3O4
• Molecular Weight: 506.44 g/mol
• Exact Mass: 505.16
• IUPAC Name: N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
• SMILES: CC1(C)C(C(=O)N(CCN2CCOCC2)C2CC(=O)N(c3ccc(Br)cc3)C2=O)C1(C)C
• InChI: InChI=1S/C24H32BrN3O4/c1-23(2)20(24(23,3)4)22(31)27(10-9-26-11-13-32-14-12-26)18-15-19(29)28(21(18)30)17-7-5-16(25)6-8-17/h5-8,18,20H,9-15H2,1-4H3
• InChIKey: ISVUQWGOACWXDK-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 70.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.44
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide?

The IUPAC name of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide (CID 23916700) is N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide?

The canonical SMILES for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide is CC1(C)C(C(=O)N(CCN2CCOCC2)C2CC(=O)N(c3ccc(Br)cc3)C2=O)C1(C)C.

What is the InChIKey of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide?

The InChIKey is ISVUQWGOACWXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32BrN3O4/c1-23(2)20(24(23,3)4)22(31)27(10-9-26-11-13-32-14-12-26)18-15-19(29)28(21(18)30)17-7-5-16(25)6-8-17/h5-8,18,20H,9-15H2,1-4H3.

What are the key properties of N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide?

N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 506.44 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 23916700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).