3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethoxy]ethoxy]propyl]propanamide

C24H34N4O9 — CID 51340938

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethoxy]ethoxy]propyl]propanamide
SMILESO=C(CCN1C(=O)C=CC1=O)NCCCOCCOCCOCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C24H34N4O9/c29-19(7-11-27-21(31)3-4-22(27)32)25-9-1-13-35-15-17-37-18-16-36-14-2-10-26-20(30)8-12-28-23(33)5-6-24(28)34/h3-6H,1-2,7-18H2,(H,25,29)(H,26,30)
InChIKeyIYCAHIIVLGRROV-UHFFFAOYSA-N
MW522.56 g/mol
LogP-1.32
Rot. Bonds20

About 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethoxy]ethoxy]propyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethoxy]ethoxy]propyl]propanamide (PubChem CID 51340938) has the molecular formula C24H34N4O9 and a molecular weight of 522.56 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethoxy]ethoxy]propyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethoxy]ethoxy]propyl]propanamide
PubChem CID51340938
Molecular FormulaC24H34N4O9
Molecular Weight522.56 g/mol
Exact Mass522.23
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethoxy]ethoxy]propyl]propanamide
SMILESO=C(CCN1C(=O)C=CC1=O)NCCCOCCOCCOCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C24H34N4O9/c29-19(7-11-27-21(31)3-4-22(27)32)25-9-1-13-35-15-17-37-18-16-36-14-2-10-26-20(30)8-12-28-23(33)5-6-24(28)34/h3-6H,1-2,7-18H2,(H,25,29)(H,26,30)
InChIKeyIYCAHIIVLGRROV-UHFFFAOYSA-N
XLogP-1.32
TPSA160.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.56
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethoxy]ethoxy]propyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethoxy]ethoxy]propyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethoxy]ethoxy]propyl]propanamide (CID 51340938) is 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethoxy]ethoxy]propyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethoxy]ethoxy]propyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethoxy]ethoxy]propyl]propanamide is O=C(CCN1C(=O)C=CC1=O)NCCCOCCOCCOCCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethoxy]ethoxy]propyl]propanamide?
The InChIKey is IYCAHIIVLGRROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O9/c29-19(7-11-27-21(31)3-4-22(27)32)25-9-1-13-35-15-17-37-18-16-36-14-2-10-26-20(30)8-12-28-23(33)5-6-24(28)34/h3-6H,1-2,7-18H2,(H,25,29)(H,26,30).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethoxy]ethoxy]propyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethoxy]ethoxy]propyl]propanamide has a molecular weight of 522.56 g/mol, XLogP of -1.32, 20 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[3-[2-[2-[3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]propoxy]ethoxy]ethoxy]propyl]propanamide is sourced from PubChem (CID 51340938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).