1-[1-[3-[2-(2,5-dioxopyrrol-1-yl)propoxy]-2-[2-(2,5-dioxopyrrol-1-yl)propoxymethyl]-2-methylpropoxy]propan-2-yl]pyrrole-2,5-dione

C26H33N3O9 — CID 90178729

IUPAC1-[1-[3-[2-(2,5-dioxopyrrol-1-yl)propoxy]-2-[2-(2,5-dioxopyrrol-1-yl)propoxymethyl]-2-methylpropoxy]propan-2-yl]pyrrole-2,5-dione
SMILESCC(COCC(C)(COCC(C)N1C(=O)C=CC1=O)COCC(C)N1C(=O)C=CC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C26H33N3O9/c1-17(27-20(30)5-6-21(27)31)11-36-14-26(4,15-37-12-18(2)28-22(32)7-8-23(28)33)16-38-13-19(3)29-24(34)9-10-25(29)35/h5-10,17-19H,11-16H2,1-4H3
InChIKeyJDDADNNKDSGRGW-UHFFFAOYSA-N
MW531.56 g/mol
LogP-0.02
Rot. Bonds15

About 1-[1-[3-[2-(2,5-dioxopyrrol-1-yl)propoxy]-2-[2-(2,5-dioxopyrrol-1-yl)propoxymethyl]-2-methylpropoxy]propan-2-yl]pyrrole-2,5-dione

1-[1-[3-[2-(2,5-dioxopyrrol-1-yl)propoxy]-2-[2-(2,5-dioxopyrrol-1-yl)propoxymethyl]-2-methylpropoxy]propan-2-yl]pyrrole-2,5-dione (PubChem CID 90178729) has the molecular formula C26H33N3O9 and a molecular weight of 531.56 g/mol. Its IUPAC name is 1-[1-[3-[2-(2,5-dioxopyrrol-1-yl)propoxy]-2-[2-(2,5-dioxopyrrol-1-yl)propoxymethyl]-2-methylpropoxy]propan-2-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[1-[3-[2-(2,5-dioxopyrrol-1-yl)propoxy]-2-[2-(2,5-dioxopyrrol-1-yl)propoxymethyl]-2-methylpropoxy]propan-2-yl]pyrrole-2,5-dione
PubChem CID90178729
Molecular FormulaC26H33N3O9
Molecular Weight531.56 g/mol
Exact Mass531.22
IUPAC Name1-[1-[3-[2-(2,5-dioxopyrrol-1-yl)propoxy]-2-[2-(2,5-dioxopyrrol-1-yl)propoxymethyl]-2-methylpropoxy]propan-2-yl]pyrrole-2,5-dione
SMILESCC(COCC(C)(COCC(C)N1C(=O)C=CC1=O)COCC(C)N1C(=O)C=CC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C26H33N3O9/c1-17(27-20(30)5-6-21(27)31)11-36-14-26(4,15-37-12-18(2)28-22(32)7-8-23(28)33)16-38-13-19(3)29-24(34)9-10-25(29)35/h5-10,17-19H,11-16H2,1-4H3
InChIKeyJDDADNNKDSGRGW-UHFFFAOYSA-N
XLogP-0.02
TPSA139.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.56
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[1-[3-[2-(2,5-dioxopyrrol-1-yl)propoxy]-2-[2-(2,5-dioxopyrrol-1-yl)propoxymethyl]-2-methylpropoxy]propan-2-yl]pyrrole-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[2-(2,5-dioxopyrrol-1-yl)propoxy]-2-[2-(2,5-dioxopyrrol-1-yl)propoxymethyl]-2-methylpropoxy]propan-2-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[1-[3-[2-(2,5-dioxopyrrol-1-yl)propoxy]-2-[2-(2,5-dioxopyrrol-1-yl)propoxymethyl]-2-methylpropoxy]propan-2-yl]pyrrole-2,5-dione (CID 90178729) is 1-[1-[3-[2-(2,5-dioxopyrrol-1-yl)propoxy]-2-[2-(2,5-dioxopyrrol-1-yl)propoxymethyl]-2-methylpropoxy]propan-2-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[1-[3-[2-(2,5-dioxopyrrol-1-yl)propoxy]-2-[2-(2,5-dioxopyrrol-1-yl)propoxymethyl]-2-methylpropoxy]propan-2-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[1-[3-[2-(2,5-dioxopyrrol-1-yl)propoxy]-2-[2-(2,5-dioxopyrrol-1-yl)propoxymethyl]-2-methylpropoxy]propan-2-yl]pyrrole-2,5-dione is CC(COCC(C)(COCC(C)N1C(=O)C=CC1=O)COCC(C)N1C(=O)C=CC1=O)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[1-[3-[2-(2,5-dioxopyrrol-1-yl)propoxy]-2-[2-(2,5-dioxopyrrol-1-yl)propoxymethyl]-2-methylpropoxy]propan-2-yl]pyrrole-2,5-dione?
The InChIKey is JDDADNNKDSGRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O9/c1-17(27-20(30)5-6-21(27)31)11-36-14-26(4,15-37-12-18(2)28-22(32)7-8-23(28)33)16-38-13-19(3)29-24(34)9-10-25(29)35/h5-10,17-19H,11-16H2,1-4H3.
What are the key properties of 1-[1-[3-[2-(2,5-dioxopyrrol-1-yl)propoxy]-2-[2-(2,5-dioxopyrrol-1-yl)propoxymethyl]-2-methylpropoxy]propan-2-yl]pyrrole-2,5-dione?
1-[1-[3-[2-(2,5-dioxopyrrol-1-yl)propoxy]-2-[2-(2,5-dioxopyrrol-1-yl)propoxymethyl]-2-methylpropoxy]propan-2-yl]pyrrole-2,5-dione has a molecular weight of 531.56 g/mol, XLogP of -0.02, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[2-(2,5-dioxopyrrol-1-yl)propoxy]-2-[2-(2,5-dioxopyrrol-1-yl)propoxymethyl]-2-methylpropoxy]propan-2-yl]pyrrole-2,5-dione is sourced from PubChem (CID 90178729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).