methyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbenzoate

C19H20N2O5 — CID 55531605

IUPACmethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccco3)C2)c(C)c1
InChIInChI=1S/C19H20N2O5/c1-12-8-13(19(24)25-2)5-6-16(12)20-18(23)14-9-17(22)21(10-14)11-15-4-3-7-26-15/h3-8,14H,9-11H2,1-2H3,(H,20,23)
InChIKeyRNOPHSZOJTWEDW-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.36
Rot. Bonds5

About methyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbenzoate

methyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbenzoate (PubChem CID 55531605) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is methyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbenzoate
PubChem CID55531605
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Namemethyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccco3)C2)c(C)c1
InChIInChI=1S/C19H20N2O5/c1-12-8-13(19(24)25-2)5-6-16(12)20-18(23)14-9-17(22)21(10-14)11-15-4-3-7-26-15/h3-8,14H,9-11H2,1-2H3,(H,20,23)
InChIKeyRNOPHSZOJTWEDW-UHFFFAOYSA-N
XLogP2.36
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbenzoate with MolForge

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Related Compounds

(3S)-N-(4-fluoro-2-methylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 8864389
methyl 2,4-difluoro-5-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 47021167
1-(furan-2-ylmethyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2998321
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
methyl 2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 97264226
1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78768111
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
(3S)-N-(4-bromo-3-methylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 9095963
N-(3-acetylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 18077896
1-(furan-2-ylmethyl)-5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55887280
N-(3-acetamidophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51149894

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbenzoate?
The IUPAC name of methyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbenzoate (CID 55531605) is methyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbenzoate?
The canonical SMILES for methyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbenzoate is COC(=O)c1ccc(NC(=O)C2CC(=O)N(Cc3ccco3)C2)c(C)c1.
What is the InChIKey of methyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbenzoate?
The InChIKey is RNOPHSZOJTWEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-12-8-13(19(24)25-2)5-6-16(12)20-18(23)14-9-17(22)21(10-14)11-15-4-3-7-26-15/h3-8,14H,9-11H2,1-2H3,(H,20,23).
What are the key properties of methyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbenzoate?
methyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbenzoate has a molecular weight of 356.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbenzoate is sourced from PubChem (CID 55531605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).