ethyl 4-acetyl-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate

C23H26N2O7 — CID 108801257

IUPACethyl 4-acetyl-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2CC(=O)N(c3cc(C)ccc3OC)C2)oc(C)c1C(C)=O
InChIInChI=1S/C23H26N2O7/c1-6-31-23(29)20-19(13(3)26)14(4)32-22(20)24-21(28)15-10-18(27)25(11-15)16-9-12(2)7-8-17(16)30-5/h7-9,15H,6,10-11H2,1-5H3,(H,24,28)
InChIKeyTUTJSNYOCPMTEQ-UHFFFAOYSA-N
MW442.47 g/mol
LogP3.28
Rot. Bonds7

About ethyl 4-acetyl-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate

ethyl 4-acetyl-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate (PubChem CID 108801257) has the molecular formula C23H26N2O7 and a molecular weight of 442.47 g/mol. Its IUPAC name is ethyl 4-acetyl-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate
PubChem CID108801257
Molecular FormulaC23H26N2O7
Molecular Weight442.47 g/mol
Exact Mass442.17
IUPAC Nameethyl 4-acetyl-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2CC(=O)N(c3cc(C)ccc3OC)C2)oc(C)c1C(C)=O
InChIInChI=1S/C23H26N2O7/c1-6-31-23(29)20-19(13(3)26)14(4)32-22(20)24-21(28)15-10-18(27)25(11-15)16-9-12(2)7-8-17(16)30-5/h7-9,15H,6,10-11H2,1-5H3,(H,24,28)
InChIKeyTUTJSNYOCPMTEQ-UHFFFAOYSA-N
XLogP3.28
TPSA115.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-acetyl-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate with MolForge

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Related Compounds

ethyl 4-acetyl-5-methyl-2-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]furan-3-carboxylate
CID 17308546
ethyl 4-acetyl-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate
CID 21230126
diethyl 2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3,4-dicarboxylate
CID 108800125
N-(2-hydroxy-5-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108801213
(3S)-N-(2-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8885963
1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586094
butyl 2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 108788303
ethyl 2-[[(3S)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9395534
N-(6-amino-1,3-benzodioxol-5-yl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119618446
N-(2,6-dichlorophenyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188236
N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78823927
1-(2-methoxy-5-methylphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119501870

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate (CID 108801257) is ethyl 4-acetyl-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate is CCOC(=O)c1c(NC(=O)C2CC(=O)N(c3cc(C)ccc3OC)C2)oc(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate?
The InChIKey is TUTJSNYOCPMTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O7/c1-6-31-23(29)20-19(13(3)26)14(4)32-22(20)24-21(28)15-10-18(27)25(11-15)16-9-12(2)7-8-17(16)30-5/h7-9,15H,6,10-11H2,1-5H3,(H,24,28).
What are the key properties of ethyl 4-acetyl-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate?
ethyl 4-acetyl-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate has a molecular weight of 442.47 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate is sourced from PubChem (CID 108801257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).