2-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)-1-benzofuran-7-carboxamide

C17H20N2O3 — CID 131923221

IUPAC2-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)-1-benzofuran-7-carboxamide
SMILESCCCN1CC(NC(=O)c2cccc3cc(C)oc23)CC1=O
InChIInChI=1S/C17H20N2O3/c1-3-7-19-10-13(9-15(19)20)18-17(21)14-6-4-5-12-8-11(2)22-16(12)14/h4-6,8,13H,3,7,9-10H2,1-2H3,(H,18,21)
InChIKeyJCRGJMCPFWFOJO-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.48
Rot. Bonds4

About 2-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)-1-benzofuran-7-carboxamide

2-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)-1-benzofuran-7-carboxamide (PubChem CID 131923221) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)-1-benzofuran-7-carboxamide
PubChem CID131923221
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)-1-benzofuran-7-carboxamide
SMILESCCCN1CC(NC(=O)c2cccc3cc(C)oc23)CC1=O
InChIInChI=1S/C17H20N2O3/c1-3-7-19-10-13(9-15(19)20)18-17(21)14-6-4-5-12-8-11(2)22-16(12)14/h4-6,8,13H,3,7,9-10H2,1-2H3,(H,18,21)
InChIKeyJCRGJMCPFWFOJO-UHFFFAOYSA-N
XLogP2.48
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 45193623
2-amino-5-hydroxy-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 131944350
2-chloro-N-[2-[[(3S)-5-oxo-1-propylpyrrolidin-3-yl]carbamoylamino]ethyl]benzamide
CID 125442731
2-morpholin-4-yl-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 95476963
3,5-dichloro-4-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 72884702
3-hydroxy-2-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]benzamide
CID 95724518
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide
CID 95720011
2-methyl-N-[(1R,3R)-3-[[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]amino]cyclohexyl]-1-benzofuran-7-carboxamide
CID 146038447
4-(6-methoxy-2-pyridinyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)benzamide
CID 118767079
4-oxo-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-3H-quinazoline-2-carboxamide
CID 136776065
2-[(4-fluorophenoxy)methyl]-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 95204805
N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide
CID 95720923

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)-1-benzofuran-7-carboxamide?
The IUPAC name of 2-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)-1-benzofuran-7-carboxamide (CID 131923221) is 2-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)-1-benzofuran-7-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)-1-benzofuran-7-carboxamide?
The canonical SMILES for 2-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)-1-benzofuran-7-carboxamide is CCCN1CC(NC(=O)c2cccc3cc(C)oc23)CC1=O.
What is the InChIKey of 2-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)-1-benzofuran-7-carboxamide?
The InChIKey is JCRGJMCPFWFOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-7-19-10-13(9-15(19)20)18-17(21)14-6-4-5-12-8-11(2)22-16(12)14/h4-6,8,13H,3,7,9-10H2,1-2H3,(H,18,21).
What are the key properties of 2-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)-1-benzofuran-7-carboxamide?
2-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)-1-benzofuran-7-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)-1-benzofuran-7-carboxamide is sourced from PubChem (CID 131923221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).