3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methylpropanamide

C14H22N2O6 — CID 121291288

IUPAC3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methylpropanamide
SMILESCNC(=O)CCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H22N2O6/c1-15-12(17)4-6-20-8-10-22-11-9-21-7-5-16-13(18)2-3-14(16)19/h2-3H,4-11H2,1H3,(H,15,17)
InChIKeyYYFKRWPXQDEWRT-UHFFFAOYSA-N
MW314.34 g/mol
LogP-0.90
Rot. Bonds12

About 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methylpropanamide

3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methylpropanamide (PubChem CID 121291288) has the molecular formula C14H22N2O6 and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methylpropanamide
PubChem CID121291288
Molecular FormulaC14H22N2O6
Molecular Weight314.34 g/mol
Exact Mass314.15
IUPAC Name3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methylpropanamide
SMILESCNC(=O)CCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H22N2O6/c1-15-12(17)4-6-20-8-10-22-11-9-21-7-5-16-13(18)2-3-14(16)19/h2-3H,4-11H2,1H3,(H,15,17)
InChIKeyYYFKRWPXQDEWRT-UHFFFAOYSA-N
XLogP-0.90
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methylpropanamide?
The IUPAC name of 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methylpropanamide (CID 121291288) is 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methylpropanamide.
What is the SMILES notation for 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methylpropanamide?
The canonical SMILES for 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methylpropanamide is CNC(=O)CCOCCOCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methylpropanamide?
The InChIKey is YYFKRWPXQDEWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O6/c1-15-12(17)4-6-20-8-10-22-11-9-21-7-5-16-13(18)2-3-14(16)19/h2-3H,4-11H2,1H3,(H,15,17).
What are the key properties of 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methylpropanamide?
3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methylpropanamide has a molecular weight of 314.34 g/mol, XLogP of -0.90, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]-N-methylpropanamide is sourced from PubChem (CID 121291288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).