3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide

C18H28N2O8 — CID 89361590

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESO=CCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C18H28N2O8/c21-7-1-8-25-10-12-27-14-15-28-13-11-26-9-5-19-16(22)4-6-20-17(23)2-3-18(20)24/h2-3,7H,1,4-6,8-15H2,(H,19,22)
InChIKeyUMLMVJZAIZRDJC-UHFFFAOYSA-N
MW400.43 g/mol
LogP-0.93
Rot. Bonds18

About 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 89361590) has the molecular formula C18H28N2O8 and a molecular weight of 400.43 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
PubChem CID89361590
Molecular FormulaC18H28N2O8
Molecular Weight400.43 g/mol
Exact Mass400.18
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESO=CCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C18H28N2O8/c21-7-1-8-25-10-12-27-14-15-28-13-11-26-9-5-19-16(22)4-6-20-17(23)2-3-18(20)24/h2-3,7H,1,4-6,8-15H2,(H,19,22)
InChIKeyUMLMVJZAIZRDJC-UHFFFAOYSA-N
XLogP-0.93
TPSA120.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 89361590) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide is O=CCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is UMLMVJZAIZRDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O8/c21-7-1-8-25-10-12-27-14-15-28-13-11-26-9-5-19-16(22)4-6-20-17(23)2-3-18(20)24/h2-3,7H,1,4-6,8-15H2,(H,19,22).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 400.43 g/mol, XLogP of -0.93, 18 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 89361590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).