1-[2-[2-[2-[2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione

C20H30N2O7 — CID 129062101

IUPAC1-[2-[2-[2-[2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
SMILESCC(C)(C)C1CC(=O)N(CCOCCOCCOCCN2C(=O)C=CC2=O)C1=O
InChIInChI=1S/C20H30N2O7/c1-20(2,3)15-14-18(25)22(19(15)26)7-9-28-11-13-29-12-10-27-8-6-21-16(23)4-5-17(21)24/h4-5,15H,6-14H2,1-3H3
InChIKeyGKCJAHCREAUNFJ-UHFFFAOYSA-N
MW410.47 g/mol
LogP0.38
Rot. Bonds12

About 1-[2-[2-[2-[2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione

1-[2-[2-[2-[2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione (PubChem CID 129062101) has the molecular formula C20H30N2O7 and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
PubChem CID129062101
Molecular FormulaC20H30N2O7
Molecular Weight410.47 g/mol
Exact Mass410.21
IUPAC Name1-[2-[2-[2-[2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
SMILESCC(C)(C)C1CC(=O)N(CCOCCOCCOCCN2C(=O)C=CC2=O)C1=O
InChIInChI=1S/C20H30N2O7/c1-20(2,3)15-14-18(25)22(19(15)26)7-9-28-11-13-29-12-10-27-8-6-21-16(23)4-5-17(21)24/h4-5,15H,6-14H2,1-3H3
InChIKeyGKCJAHCREAUNFJ-UHFFFAOYSA-N
XLogP0.38
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-[2-[2-[2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione (CID 129062101) is 1-[2-[2-[2-[2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-[2-[2-[2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-[2-[2-[2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione is CC(C)(C)C1CC(=O)N(CCOCCOCCOCCN2C(=O)C=CC2=O)C1=O.
What is the InChIKey of 1-[2-[2-[2-[2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
The InChIKey is GKCJAHCREAUNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O7/c1-20(2,3)15-14-18(25)22(19(15)26)7-9-28-11-13-29-12-10-27-8-6-21-16(23)4-5-17(21)24/h4-5,15H,6-14H2,1-3H3.
What are the key properties of 1-[2-[2-[2-[2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione?
1-[2-[2-[2-[2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione has a molecular weight of 410.47 g/mol, XLogP of 0.38, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(3-tert-butyl-2,5-dioxopyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 129062101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).