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

C18H20N2O4 — CID 3956673

IUPACN-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CC(=O)N(Cc3ccco3)C2)cc1
InChIInChI=1S/C18H20N2O4/c1-2-23-15-7-5-14(6-8-15)19-18(22)13-10-17(21)20(11-13)12-16-4-3-9-24-16/h3-9,13H,2,10-12H2,1H3,(H,19,22)
InChIKeyRRZCMMGSTYWJJR-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.67
Rot. Bonds6

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

N-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3956673) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3956673
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CC(=O)N(Cc3ccco3)C2)cc1
InChIInChI=1S/C18H20N2O4/c1-2-23-15-7-5-14(6-8-15)19-18(22)13-10-17(21)20(11-13)12-16-4-3-9-24-16/h3-9,13H,2,10-12H2,1H3,(H,19,22)
InChIKeyRRZCMMGSTYWJJR-UHFFFAOYSA-N
XLogP2.67
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 3956673) is N-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(NC(=O)C2CC(=O)N(Cc3ccco3)C2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RRZCMMGSTYWJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-2-23-15-7-5-14(6-8-15)19-18(22)13-10-17(21)20(11-13)12-16-4-3-9-24-16/h3-9,13H,2,10-12H2,1H3,(H,19,22).
What are the key properties of N-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3956673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).