N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C17H18N2O4 — CID 2981070

IUPACN-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCc3ccco3)CC2=O)cc1
InChIInChI=1S/C17H18N2O4/c1-22-14-6-4-13(5-7-14)19-11-12(9-16(19)20)17(21)18-10-15-3-2-8-23-15/h2-8,12H,9-11H2,1H3,(H,18,21)
InChIKeyWEQLIYOSLCAPIT-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.96
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2981070) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2981070
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCc3ccco3)CC2=O)cc1
InChIInChI=1S/C17H18N2O4/c1-22-14-6-4-13(5-7-14)19-11-12(9-16(19)20)17(21)18-10-15-3-2-8-23-15/h2-8,12H,9-11H2,1H3,(H,18,21)
InChIKeyWEQLIYOSLCAPIT-UHFFFAOYSA-N
XLogP1.96
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2981070) is N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NCc3ccco3)CC2=O)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WEQLIYOSLCAPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-22-14-6-4-13(5-7-14)19-11-12(9-16(19)20)17(21)18-10-15-3-2-8-23-15/h2-8,12H,9-11H2,1H3,(H,18,21).
What are the key properties of N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2981070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).