N-(2-methoxyethyl)-1-propylpyrrolidine-2-carboxamide

C11H22N2O2 — CID 59535672

IUPACN-(2-methoxyethyl)-1-propylpyrrolidine-2-carboxamide
SMILESCCCN1CCCC1C(=O)NCCOC
InChIInChI=1S/C11H22N2O2/c1-3-7-13-8-4-5-10(13)11(14)12-6-9-15-2/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyMMTAUQSXHAGYLJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds6

About N-(2-methoxyethyl)-1-propylpyrrolidine-2-carboxamide

N-(2-methoxyethyl)-1-propylpyrrolidine-2-carboxamide (PubChem CID 59535672) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-propylpyrrolidine-2-carboxamide
PubChem CID59535672
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(2-methoxyethyl)-1-propylpyrrolidine-2-carboxamide
SMILESCCCN1CCCC1C(=O)NCCOC
InChIInChI=1S/C11H22N2O2/c1-3-7-13-8-4-5-10(13)11(14)12-6-9-15-2/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyMMTAUQSXHAGYLJ-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-propylpyrrolidine-2-carboxamide (CID 59535672) is N-(2-methoxyethyl)-1-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-propylpyrrolidine-2-carboxamide is CCCN1CCCC1C(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)-1-propylpyrrolidine-2-carboxamide?
The InChIKey is MMTAUQSXHAGYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-7-13-8-4-5-10(13)11(14)12-6-9-15-2/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of N-(2-methoxyethyl)-1-propylpyrrolidine-2-carboxamide?
N-(2-methoxyethyl)-1-propylpyrrolidine-2-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 59535672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).