5-oxo-N-(oxolan-2-ylmethyl)-1-(2-phenylethyl)pyrrolidine-2-carboxamide

C18H24N2O3 — CID 3241684

IUPAC5-oxo-N-(oxolan-2-ylmethyl)-1-(2-phenylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCO1)C1CCC(=O)N1CCc1ccccc1
InChIInChI=1S/C18H24N2O3/c21-17-9-8-16(18(22)19-13-15-7-4-12-23-15)20(17)11-10-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,19,22)
InChIKeyGFEUREYOFUZPQG-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.52
Rot. Bonds6

About 5-oxo-N-(oxolan-2-ylmethyl)-1-(2-phenylethyl)pyrrolidine-2-carboxamide

5-oxo-N-(oxolan-2-ylmethyl)-1-(2-phenylethyl)pyrrolidine-2-carboxamide (PubChem CID 3241684) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-oxo-N-(oxolan-2-ylmethyl)-1-(2-phenylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(oxolan-2-ylmethyl)-1-(2-phenylethyl)pyrrolidine-2-carboxamide
PubChem CID3241684
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name5-oxo-N-(oxolan-2-ylmethyl)-1-(2-phenylethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCO1)C1CCC(=O)N1CCc1ccccc1
InChIInChI=1S/C18H24N2O3/c21-17-9-8-16(18(22)19-13-15-7-4-12-23-15)20(17)11-10-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,19,22)
InChIKeyGFEUREYOFUZPQG-UHFFFAOYSA-N
XLogP1.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(oxolan-2-ylmethyl)-1-(2-phenylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-(oxolan-2-ylmethyl)-1-(2-phenylethyl)pyrrolidine-2-carboxamide (CID 3241684) is 5-oxo-N-(oxolan-2-ylmethyl)-1-(2-phenylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-(oxolan-2-ylmethyl)-1-(2-phenylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-(oxolan-2-ylmethyl)-1-(2-phenylethyl)pyrrolidine-2-carboxamide is O=C(NCC1CCCO1)C1CCC(=O)N1CCc1ccccc1.
What is the InChIKey of 5-oxo-N-(oxolan-2-ylmethyl)-1-(2-phenylethyl)pyrrolidine-2-carboxamide?
The InChIKey is GFEUREYOFUZPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17-9-8-16(18(22)19-13-15-7-4-12-23-15)20(17)11-10-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,19,22).
What are the key properties of 5-oxo-N-(oxolan-2-ylmethyl)-1-(2-phenylethyl)pyrrolidine-2-carboxamide?
5-oxo-N-(oxolan-2-ylmethyl)-1-(2-phenylethyl)pyrrolidine-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(oxolan-2-ylmethyl)-1-(2-phenylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3241684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).