N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide

C22H20N2O4 — CID 110408803

IUPACN-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CCC(=O)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H20N2O4/c25-21-13-12-20(22(26)23-15-19-7-4-14-27-19)24(21)16-8-10-18(11-9-16)28-17-5-2-1-3-6-17/h1-11,14,20H,12-13,15H2,(H,23,26)
InChIKeyXXJWAQDLPYBAAR-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.88
Rot. Bonds6

About N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide

N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 110408803) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID110408803
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CCC(=O)N1c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H20N2O4/c25-21-13-12-20(22(26)23-15-19-7-4-14-27-19)24(21)16-8-10-18(11-9-16)28-17-5-2-1-3-6-17/h1-11,14,20H,12-13,15H2,(H,23,26)
InChIKeyXXJWAQDLPYBAAR-UHFFFAOYSA-N
XLogP3.88
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.88
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)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide (CID 110408803) is N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide is O=C(NCc1ccco1)C1CCC(=O)N1c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is XXJWAQDLPYBAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-21-13-12-20(22(26)23-15-19-7-4-14-27-19)24(21)16-8-10-18(11-9-16)28-17-5-2-1-3-6-17/h1-11,14,20H,12-13,15H2,(H,23,26).
What are the key properties of N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide?
N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110408803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).