2-ethyl-1-methyl-N-(2-propoxyethyl)pyrrolidine-2-carboxamide

C13H26N2O2 — CID 176987583

IUPAC2-ethyl-1-methyl-N-(2-propoxyethyl)pyrrolidine-2-carboxamide
SMILESCCCOCCNC(=O)C1(CC)CCCN1C
InChIInChI=1S/C13H26N2O2/c1-4-10-17-11-8-14-12(16)13(5-2)7-6-9-15(13)3/h4-11H2,1-3H3,(H,14,16)
InChIKeyCGZQTEGYJGUTBK-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds7

About 2-ethyl-1-methyl-N-(2-propoxyethyl)pyrrolidine-2-carboxamide

2-ethyl-1-methyl-N-(2-propoxyethyl)pyrrolidine-2-carboxamide (PubChem CID 176987583) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-ethyl-1-methyl-N-(2-propoxyethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-1-methyl-N-(2-propoxyethyl)pyrrolidine-2-carboxamide
PubChem CID176987583
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-ethyl-1-methyl-N-(2-propoxyethyl)pyrrolidine-2-carboxamide
SMILESCCCOCCNC(=O)C1(CC)CCCN1C
InChIInChI=1S/C13H26N2O2/c1-4-10-17-11-8-14-12(16)13(5-2)7-6-9-15(13)3/h4-11H2,1-3H3,(H,14,16)
InChIKeyCGZQTEGYJGUTBK-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethyl-1-methyl-N-(2-propoxyethyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-N-(2-propoxyethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-1-methyl-N-(2-propoxyethyl)pyrrolidine-2-carboxamide (CID 176987583) is 2-ethyl-1-methyl-N-(2-propoxyethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-1-methyl-N-(2-propoxyethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-1-methyl-N-(2-propoxyethyl)pyrrolidine-2-carboxamide is CCCOCCNC(=O)C1(CC)CCCN1C.
What is the InChIKey of 2-ethyl-1-methyl-N-(2-propoxyethyl)pyrrolidine-2-carboxamide?
The InChIKey is CGZQTEGYJGUTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-10-17-11-8-14-12(16)13(5-2)7-6-9-15(13)3/h4-11H2,1-3H3,(H,14,16).
What are the key properties of 2-ethyl-1-methyl-N-(2-propoxyethyl)pyrrolidine-2-carboxamide?
2-ethyl-1-methyl-N-(2-propoxyethyl)pyrrolidine-2-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-N-(2-propoxyethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 176987583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).