1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide

C23H22N2O4 — CID 42908533

IUPAC1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(Oc2ccccc2NC(=O)C2CC(=O)N(Cc3ccco3)C2)cc1
InChIInChI=1S/C23H22N2O4/c1-16-8-10-18(11-9-16)29-21-7-3-2-6-20(21)24-23(27)17-13-22(26)25(14-17)15-19-5-4-12-28-19/h2-12,17H,13-15H2,1H3,(H,24,27)
InChIKeyXIKRCAHVGNHSBR-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.37
Rot. Bonds6

About 1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide

1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 42908533) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID42908533
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(Oc2ccccc2NC(=O)C2CC(=O)N(Cc3ccco3)C2)cc1
InChIInChI=1S/C23H22N2O4/c1-16-8-10-18(11-9-16)29-21-7-3-2-6-20(21)24-23(27)17-13-22(26)25(14-17)15-19-5-4-12-28-19/h2-12,17H,13-15H2,1H3,(H,24,27)
InChIKeyXIKRCAHVGNHSBR-UHFFFAOYSA-N
XLogP4.37
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-ylmethyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2998321
1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78768111
1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43011936
(3R)-1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40625044
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
(3S)-N-(4-fluoro-2-methylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 8864389
1-(furan-2-ylmethyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopyrrolidine-3-carboxamide
CID 55751444
1-(furan-2-ylmethyl)-5-oxo-N-(4-pyrimidin-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 55920995
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
(3S)-N-(2-ethoxy-3-pyridinyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 34954333
methyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbenzoate
CID 55531605
[2-(2-methoxyanilino)-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7579265

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 42908533) is 1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(Oc2ccccc2NC(=O)C2CC(=O)N(Cc3ccco3)C2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XIKRCAHVGNHSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-16-8-10-18(11-9-16)29-21-7-3-2-6-20(21)24-23(27)17-13-22(26)25(14-17)15-19-5-4-12-28-19/h2-12,17H,13-15H2,1H3,(H,24,27).
What are the key properties of 1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42908533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).