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

C13H26N2O3 — CID 176987557

IUPAC2-ethyl-1-methyl-N-(propoxymethoxymethyl)pyrrolidine-2-carboxamide
SMILESCCCOCOCNC(=O)C1(CC)CCCN1C
InChIInChI=1S/C13H26N2O3/c1-4-9-17-11-18-10-14-12(16)13(5-2)7-6-8-15(13)3/h4-11H2,1-3H3,(H,14,16)
InChIKeyURTJSOXAVJBKOV-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.34
Rot. Bonds8

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

2-ethyl-1-methyl-N-(propoxymethoxymethyl)pyrrolidine-2-carboxamide (PubChem CID 176987557) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-ethyl-1-methyl-N-(propoxymethoxymethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-ethyl-1-methyl-N-(propoxymethoxymethyl)pyrrolidine-2-carboxamide
PubChem CID176987557
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-ethyl-1-methyl-N-(propoxymethoxymethyl)pyrrolidine-2-carboxamide
SMILESCCCOCOCNC(=O)C1(CC)CCCN1C
InChIInChI=1S/C13H26N2O3/c1-4-9-17-11-18-10-14-12(16)13(5-2)7-6-8-15(13)3/h4-11H2,1-3H3,(H,14,16)
InChIKeyURTJSOXAVJBKOV-UHFFFAOYSA-N
XLogP1.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-N-(propoxymethoxymethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 2-ethyl-1-methyl-N-(propoxymethoxymethyl)pyrrolidine-2-carboxamide (CID 176987557) is 2-ethyl-1-methyl-N-(propoxymethoxymethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-ethyl-1-methyl-N-(propoxymethoxymethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 2-ethyl-1-methyl-N-(propoxymethoxymethyl)pyrrolidine-2-carboxamide is CCCOCOCNC(=O)C1(CC)CCCN1C.
What is the InChIKey of 2-ethyl-1-methyl-N-(propoxymethoxymethyl)pyrrolidine-2-carboxamide?
The InChIKey is URTJSOXAVJBKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-9-17-11-18-10-14-12(16)13(5-2)7-6-8-15(13)3/h4-11H2,1-3H3,(H,14,16).
What are the key properties of 2-ethyl-1-methyl-N-(propoxymethoxymethyl)pyrrolidine-2-carboxamide?
2-ethyl-1-methyl-N-(propoxymethoxymethyl)pyrrolidine-2-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-N-(propoxymethoxymethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 176987557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).