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

C20H34N2O9 — CID 77078254

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C20H34N2O9/c1-26-8-9-28-12-13-30-16-17-31-15-14-29-11-10-27-7-5-21-18(23)4-6-22-19(24)2-3-20(22)25/h2-3H,4-17H2,1H3,(H,21,23)
InChIKeyBPYWOIZSFVKCGV-UHFFFAOYSA-N
MW446.50 g/mol
LogP-0.85
Rot. Bonds21

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

3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (PubChem CID 77078254) has the molecular formula C20H34N2O9 and a molecular weight of 446.50 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
PubChem CID77078254
Molecular FormulaC20H34N2O9
Molecular Weight446.50 g/mol
Exact Mass446.23
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
SMILESCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C20H34N2O9/c1-26-8-9-28-12-13-30-16-17-31-15-14-29-11-10-27-7-5-21-18(23)4-6-22-19(24)2-3-20(22)25/h2-3H,4-17H2,1H3,(H,21,23)
InChIKeyBPYWOIZSFVKCGV-UHFFFAOYSA-N
XLogP-0.85
TPSA121.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide (CID 77078254) is 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is COCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
The InChIKey is BPYWOIZSFVKCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O9/c1-26-8-9-28-12-13-30-16-17-31-15-14-29-11-10-27-7-5-21-18(23)4-6-22-19(24)2-3-20(22)25/h2-3H,4-17H2,1H3,(H,21,23).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide has a molecular weight of 446.50 g/mol, XLogP of -0.85, 21 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 77078254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).