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

C17H24N2O4 — CID 3612504

IUPACN-(2,2-dimethoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCOC(CNC(=O)C1CC(=O)N(CCc2ccccc2)C1)OC
InChIInChI=1S/C17H24N2O4/c1-22-16(23-2)11-18-17(21)14-10-15(20)19(12-14)9-8-13-6-4-3-5-7-13/h3-7,14,16H,8-12H2,1-2H3,(H,18,21)
InChIKeyUFGYYHVUYQCOAH-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.81
Rot. Bonds8

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

N-(2,2-dimethoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 3612504) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID3612504
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-(2,2-dimethoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCOC(CNC(=O)C1CC(=O)N(CCc2ccccc2)C1)OC
InChIInChI=1S/C17H24N2O4/c1-22-16(23-2)11-18-17(21)14-10-15(20)19(12-14)9-8-13-6-4-3-5-7-13/h3-7,14,16H,8-12H2,1-2H3,(H,18,21)
InChIKeyUFGYYHVUYQCOAH-UHFFFAOYSA-N
XLogP0.81
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 3612504) is N-(2,2-dimethoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is COC(CNC(=O)C1CC(=O)N(CCc2ccccc2)C1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is UFGYYHVUYQCOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-22-16(23-2)11-18-17(21)14-10-15(20)19(12-14)9-8-13-6-4-3-5-7-13/h3-7,14,16H,8-12H2,1-2H3,(H,18,21).
What are the key properties of N-(2,2-dimethoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
N-(2,2-dimethoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 3612504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).