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

C18H30N2O7 — CID 121327488

IUPAC3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide
SMILESCCCNC(=O)CCOCCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C18H30N2O7/c1-2-6-19-16(21)5-8-24-10-12-26-14-15-27-13-11-25-9-7-20-17(22)3-4-18(20)23/h3-4H,2,5-15H2,1H3,(H,19,21)
InChIKeyKQLQTBNVJIJJNC-UHFFFAOYSA-N
MW386.45 g/mol
LogP-0.11
Rot. Bonds17

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

3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide (PubChem CID 121327488) has the molecular formula C18H30N2O7 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide.

Molecular Properties

Compound Name3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide
PubChem CID121327488
Molecular FormulaC18H30N2O7
Molecular Weight386.45 g/mol
Exact Mass386.21
IUPAC Name3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide
SMILESCCCNC(=O)CCOCCOCCOCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C18H30N2O7/c1-2-6-19-16(21)5-8-24-10-12-26-14-15-27-13-11-25-9-7-20-17(22)3-4-18(20)23/h3-4H,2,5-15H2,1H3,(H,19,21)
InChIKeyKQLQTBNVJIJJNC-UHFFFAOYSA-N
XLogP-0.11
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
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 3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide?
The IUPAC name of 3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide (CID 121327488) is 3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide.
What is the SMILES notation for 3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide?
The canonical SMILES for 3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide is CCCNC(=O)CCOCCOCCOCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide?
The InChIKey is KQLQTBNVJIJJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O7/c1-2-6-19-16(21)5-8-24-10-12-26-14-15-27-13-11-25-9-7-20-17(22)3-4-18(20)23/h3-4H,2,5-15H2,1H3,(H,19,21).
What are the key properties of 3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide?
3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide has a molecular weight of 386.45 g/mol, XLogP of -0.11, 17 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide is sourced from PubChem (CID 121327488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).