N-(4-methoxyphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide

C20H18N2O5 — CID 3830441

IUPACN-(4-methoxyphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(=O)N2C2OC(=O)c3ccccc32)cc1
InChIInChI=1S/C20H18N2O5/c1-26-13-8-6-12(7-9-13)21-18(24)16-10-11-17(23)22(16)19-14-4-2-3-5-15(14)20(25)27-19/h2-9,16,19H,10-11H2,1H3,(H,21,24)
InChIKeyZSGTYCIHRTVJIN-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.49
Rot. Bonds4

About N-(4-methoxyphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide

N-(4-methoxyphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide (PubChem CID 3830441) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
PubChem CID3830441
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC NameN-(4-methoxyphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(=O)N2C2OC(=O)c3ccccc32)cc1
InChIInChI=1S/C20H18N2O5/c1-26-13-8-6-12(7-9-13)21-18(24)16-10-11-17(23)22(16)19-14-4-2-3-5-15(14)20(25)27-19/h2-9,16,19H,10-11H2,1H3,(H,21,24)
InChIKeyZSGTYCIHRTVJIN-UHFFFAOYSA-N
XLogP2.49
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3,4-dimethoxyphenyl)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
CID 7083406
N-(4-acetylphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
CID 3775144
(2S)-N-(3,4-difluorophenyl)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
CID 7083768
(2S)-N-(3,5-dichlorophenyl)-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
CID 6575602
N-(2-ethylphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
CID 5159919
N-(2-fluorophenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide
CID 3736228
(2S)-N-(2,5-dimethylphenyl)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
CID 7084177
(5R)-5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidin-2-one
CID 92509083
(2R)-5-oxo-1-[(1S)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxylate
CID 6953894
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
CID 40911259
1-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-N-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 3479437
(2S)-N-[(2R)-butan-2-yl]-5-oxo-1-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrrolidine-2-carboxamide
CID 7083516

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide (CID 3830441) is N-(4-methoxyphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide is COc1ccc(NC(=O)C2CCC(=O)N2C2OC(=O)c3ccccc32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide?
The InChIKey is ZSGTYCIHRTVJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-26-13-8-6-12(7-9-13)21-18(24)16-10-11-17(23)22(16)19-14-4-2-3-5-15(14)20(25)27-19/h2-9,16,19H,10-11H2,1H3,(H,21,24).
What are the key properties of N-(4-methoxyphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide?
N-(4-methoxyphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-5-oxo-1-(3-oxo-1H-2-benzofuran-1-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3830441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).