N-(2-methoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C16H22N2O3 — CID 3238817

IUPACN-(2-methoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C16H22N2O3/c1-21-10-8-17-16(20)14-11-15(19)18(12-14)9-7-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,17,20)
InChIKeyGIMXKRLXPUZSEH-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.84
Rot. Bonds7

About N-(2-methoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

N-(2-methoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 3238817) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID3238817
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(2-methoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCOCCNC(=O)C1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C16H22N2O3/c1-21-10-8-17-16(20)14-11-15(19)18(12-14)9-7-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,17,20)
InChIKeyGIMXKRLXPUZSEH-UHFFFAOYSA-N
XLogP0.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.84
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)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 3238817) is N-(2-methoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is COCCNC(=O)C1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of N-(2-methoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is GIMXKRLXPUZSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-10-8-17-16(20)14-11-15(19)18(12-14)9-7-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,17,20).
What are the key properties of N-(2-methoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-(2-methoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 3238817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).