2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide

C22H28N4O5 — CID 110200267

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide
SMILESO=C1CC(c2ccccc2)N(C(=O)CNC(=O)CN2C(=O)CCC2=O)CCCCCN1
InChIInChI=1S/C22H28N4O5/c27-18-13-17(16-7-3-1-4-8-16)25(12-6-2-5-11-23-18)22(31)14-24-19(28)15-26-20(29)9-10-21(26)30/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,23,27)(H,24,28)
InChIKeyZIZATRCSOQHUIV-UHFFFAOYSA-N
MW428.49 g/mol
LogP0.51
Rot. Bonds5

About 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide (PubChem CID 110200267) has the molecular formula C22H28N4O5 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide
PubChem CID110200267
Molecular FormulaC22H28N4O5
Molecular Weight428.49 g/mol
Exact Mass428.21
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide
SMILESO=C1CC(c2ccccc2)N(C(=O)CNC(=O)CN2C(=O)CCC2=O)CCCCCN1
InChIInChI=1S/C22H28N4O5/c27-18-13-17(16-7-3-1-4-8-16)25(12-6-2-5-11-23-18)22(31)14-24-19(28)15-26-20(29)9-10-21(26)30/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,23,27)(H,24,28)
InChIKeyZIZATRCSOQHUIV-UHFFFAOYSA-N
XLogP0.51
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 50.51
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-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide (CID 110200267) is 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide is O=C1CC(c2ccccc2)N(C(=O)CNC(=O)CN2C(=O)CCC2=O)CCCCCN1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide?
The InChIKey is ZIZATRCSOQHUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5/c27-18-13-17(16-7-3-1-4-8-16)25(12-6-2-5-11-23-18)22(31)14-24-19(28)15-26-20(29)9-10-21(26)30/h1,3-4,7-8,17H,2,5-6,9-15H2,(H,23,27)(H,24,28).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide has a molecular weight of 428.49 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]acetamide is sourced from PubChem (CID 110200267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).