N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C17H17N3O4 — CID 17390517

IUPACN-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccco3)C2)cc1
InChIInChI=1S/C17H17N3O4/c18-16(22)11-3-5-13(6-4-11)19-17(23)12-8-15(21)20(9-12)10-14-2-1-7-24-14/h1-7,12H,8-10H2,(H2,18,22)(H,19,23)
InChIKeyQLSKYLCHQQXLCF-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.37
Rot. Bonds5

About N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17390517) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17390517
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccco3)C2)cc1
InChIInChI=1S/C17H17N3O4/c18-16(22)11-3-5-13(6-4-11)19-17(23)12-8-15(21)20(9-12)10-14-2-1-7-24-14/h1-7,12H,8-10H2,(H2,18,22)(H,19,23)
InChIKeyQLSKYLCHQQXLCF-UHFFFAOYSA-N
XLogP1.37
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(furan-2-ylmethyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 39314628
(3R)-N-(4-fluorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 6931900
(3R)-1-(furan-2-ylmethyl)-5-oxo-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 35753646
1-(furan-2-ylmethyl)-5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55887280
N-[4-(tert-butylcarbamoyl)phenyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55549537
1-(furan-2-ylmethyl)-5-oxo-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 112815033
N-(3-acetylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 18077896
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7577145
N-(3-acetamidophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51149894
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55341921
1-(furan-2-ylmethyl)-5-oxo-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrrolidine-3-carboxamide
CID 75801363

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 17390517) is N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is NC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccco3)C2)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QLSKYLCHQQXLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c18-16(22)11-3-5-13(6-4-11)19-17(23)12-8-15(21)20(9-12)10-14-2-1-7-24-14/h1-7,12H,8-10H2,(H2,18,22)(H,19,23).
What are the key properties of N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17390517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).