1-(furan-2-ylmethyl)-N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-3-carboxamide

C19H22N2O4 — CID 111335248

IUPAC1-(furan-2-ylmethyl)-N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(O)(CNC(=O)C1CC(=O)N(Cc2ccco2)C1)c1ccccc1
InChIInChI=1S/C19H22N2O4/c1-19(24,15-6-3-2-4-7-15)13-20-18(23)14-10-17(22)21(11-14)12-16-8-5-9-25-16/h2-9,14,24H,10-13H2,1H3,(H,20,23)
InChIKeyHPTIMTIFEAMVKO-UHFFFAOYSA-N
MW342.39 g/mol
LogP1.65
Rot. Bonds6

About 1-(furan-2-ylmethyl)-N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-3-carboxamide

1-(furan-2-ylmethyl)-N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 111335248) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID111335248
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name1-(furan-2-ylmethyl)-N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(O)(CNC(=O)C1CC(=O)N(Cc2ccco2)C1)c1ccccc1
InChIInChI=1S/C19H22N2O4/c1-19(24,15-6-3-2-4-7-15)13-20-18(23)14-10-17(22)21(11-14)12-16-8-5-9-25-16/h2-9,14,24H,10-13H2,1H3,(H,20,23)
InChIKeyHPTIMTIFEAMVKO-UHFFFAOYSA-N
XLogP1.65
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(furan-2-ylmethyl)-N-[(2R)-2-hydroxy-2-methylbutyl]-5-oxopyrrolidine-3-carboxamide
CID 95783239
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
2-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpentanoic acid
CID 119192065
methyl 2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 94094042
1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78768111
1-(furan-2-ylmethyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 42881863
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
N-(2,6-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 113183148
N-[2-(4-benzylpiperazin-1-yl)ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55336569
ethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]butanoate
CID 78800071
(2S)-2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 124701749
1-(furan-2-ylmethyl)-5-oxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 51237853

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 111335248) is 1-(furan-2-ylmethyl)-N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(O)(CNC(=O)C1CC(=O)N(Cc2ccco2)C1)c1ccccc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HPTIMTIFEAMVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-19(24,15-6-3-2-4-7-15)13-20-18(23)14-10-17(22)21(11-14)12-16-8-5-9-25-16/h2-9,14,24H,10-13H2,1H3,(H,20,23).
What are the key properties of 1-(furan-2-ylmethyl)-N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-3-carboxamide?
1-(furan-2-ylmethyl)-N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 342.39 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-(2-hydroxy-2-phenylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 111335248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).