2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide

C19H22N2O3 — CID 45193623

IUPAC2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide
SMILESCc1cc(C(=O)NC2CC(=O)N(CCc3ccccc3)C2)c(C)o1
InChIInChI=1S/C19H22N2O3/c1-13-10-17(14(2)24-13)19(23)20-16-11-18(22)21(12-16)9-8-15-6-4-3-5-7-15/h3-7,10,16H,8-9,11-12H2,1-2H3,(H,20,23)
InChIKeyWGBVXAIMWWWPKQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.47
Rot. Bonds5

About 2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide

2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide (PubChem CID 45193623) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide
PubChem CID45193623
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide
SMILESCc1cc(C(=O)NC2CC(=O)N(CCc3ccccc3)C2)c(C)o1
InChIInChI=1S/C19H22N2O3/c1-13-10-17(14(2)24-13)19(23)20-16-11-18(22)21(12-16)9-8-15-6-4-3-5-7-15/h3-7,10,16H,8-9,11-12H2,1-2H3,(H,20,23)
InChIKeyWGBVXAIMWWWPKQ-UHFFFAOYSA-N
XLogP2.47
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[(3S)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxybenzamide
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6-cyclobutyl-4-methyl-2-oxo-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyran-3-carboxamide
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N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide
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N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
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N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
CID 56898533
5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 25281084
2-methyl-N-(5-oxo-1-propylpyrrolidin-3-yl)-1-benzofuran-7-carboxamide
CID 131923221
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide (CID 45193623) is 2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide is Cc1cc(C(=O)NC2CC(=O)N(CCc3ccccc3)C2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide?
The InChIKey is WGBVXAIMWWWPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-10-17(14(2)24-13)19(23)20-16-11-18(22)21(12-16)9-8-15-6-4-3-5-7-15/h3-7,10,16H,8-9,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide?
2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide is sourced from PubChem (CID 45193623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).