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

C22H24N2O6 — CID 17308546

IUPACethyl 4-acetyl-5-methyl-2-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2CC(=O)N(c3cccc(C)c3)C2)oc(C)c1C(C)=O
InChIInChI=1S/C22H24N2O6/c1-5-29-22(28)19-18(13(3)25)14(4)30-21(19)23-20(27)15-10-17(26)24(11-15)16-8-6-7-12(2)9-16/h6-9,15H,5,10-11H2,1-4H3,(H,23,27)
InChIKeyFPBDKKCOSFUNFI-UHFFFAOYSA-N
MW412.44 g/mol
LogP3.27
Rot. Bonds6

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

ethyl 4-acetyl-5-methyl-2-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]furan-3-carboxylate (PubChem CID 17308546) has the molecular formula C22H24N2O6 and a molecular weight of 412.44 g/mol. Its IUPAC name is ethyl 4-acetyl-5-methyl-2-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-5-methyl-2-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]furan-3-carboxylate
PubChem CID17308546
Molecular FormulaC22H24N2O6
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Nameethyl 4-acetyl-5-methyl-2-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)C2CC(=O)N(c3cccc(C)c3)C2)oc(C)c1C(C)=O
InChIInChI=1S/C22H24N2O6/c1-5-29-22(28)19-18(13(3)25)14(4)30-21(19)23-20(27)15-10-17(26)24(11-15)16-8-6-7-12(2)9-16/h6-9,15H,5,10-11H2,1-4H3,(H,23,27)
InChIKeyFPBDKKCOSFUNFI-UHFFFAOYSA-N
XLogP3.27
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

ethyl 4-acetyl-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate
CID 21230126
ethyl 4-acetyl-2-[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3-carboxylate
CID 108801257
diethyl 2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3,4-dicarboxylate
CID 108800125
(3S)-N-(3,5-dimethylphenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017598
ethyl 4-cyano-3-methyl-5-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiophene-2-carboxylate
CID 17308591
diethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762179
(3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 28892198
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
ethyl 4-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 113185977
(3S)-N-(4-butoxyphenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124529153
ethyl 2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 1251465
1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6491186

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-5-methyl-2-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]furan-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-5-methyl-2-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]furan-3-carboxylate (CID 17308546) is ethyl 4-acetyl-5-methyl-2-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]furan-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-5-methyl-2-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]furan-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-5-methyl-2-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]furan-3-carboxylate is CCOC(=O)c1c(NC(=O)C2CC(=O)N(c3cccc(C)c3)C2)oc(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-5-methyl-2-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]furan-3-carboxylate?
The InChIKey is FPBDKKCOSFUNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6/c1-5-29-22(28)19-18(13(3)25)14(4)30-21(19)23-20(27)15-10-17(26)24(11-15)16-8-6-7-12(2)9-16/h6-9,15H,5,10-11H2,1-4H3,(H,23,27).
What are the key properties of ethyl 4-acetyl-5-methyl-2-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]furan-3-carboxylate?
ethyl 4-acetyl-5-methyl-2-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]furan-3-carboxylate has a molecular weight of 412.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-5-methyl-2-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]furan-3-carboxylate is sourced from PubChem (CID 17308546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).