1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide

C13H24N2O5 — CID 168696255

IUPAC1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOCCOCCOCCN1CC(C(N)=O)CC1=O
InChIInChI=1S/C13H24N2O5/c1-2-18-5-6-20-8-7-19-4-3-15-10-11(13(14)17)9-12(15)16/h11H,2-10H2,1H3,(H2,14,17)
InChIKeyXHPPUGHLSZYHNC-UHFFFAOYSA-N
MW288.34 g/mol
LogP-0.61
Rot. Bonds11

About 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide

1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696255) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168696255
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCOCCOCCOCCN1CC(C(N)=O)CC1=O
InChIInChI=1S/C13H24N2O5/c1-2-18-5-6-20-8-7-19-4-3-15-10-11(13(14)17)9-12(15)16/h11H,2-10H2,1H3,(H2,14,17)
InChIKeyXHPPUGHLSZYHNC-UHFFFAOYSA-N
XLogP-0.61
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168697250
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
4-chloro-1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
CID 168687507
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169
(3R)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586168
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-ethynylpyrrolidin-2-one
CID 168500542
5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide
CID 168697255
1-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168696347
1-[4-(2-methoxyethoxy)butyl]-5-oxopyrrolidine-3-carboxylic acid
CID 113463677
7-(4-carbamoyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168697198
(2S)-4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-hydroxybutanoic acid
CID 168695887
(3S)-1-butyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 9399516

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide (CID 168696255) is 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide is CCOCCOCCOCCN1CC(C(N)=O)CC1=O.
What is the InChIKey of 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XHPPUGHLSZYHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-2-18-5-6-20-8-7-19-4-3-15-10-11(13(14)17)9-12(15)16/h11H,2-10H2,1H3,(H2,14,17).
What are the key properties of 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide?
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 288.34 g/mol, XLogP of -0.61, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).