dimethyl 4-benzamido-5-(furan-2-yl)-3-phenylpyrrolidine-2,4-dicarboxylate

C25H24N2O6 — CID 102097797

IUPACdimethyl 4-benzamido-5-(furan-2-yl)-3-phenylpyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)C1NC(c2ccco2)C(NC(=O)c2ccccc2)(C(=O)OC)C1c1ccccc1
InChIInChI=1S/C25H24N2O6/c1-31-23(29)20-19(16-10-5-3-6-11-16)25(24(30)32-2,21(26-20)18-14-9-15-33-18)27-22(28)17-12-7-4-8-13-17/h3-15,19-21,26H,1-2H3,(H,27,28)
InChIKeyXJGVNGKRMULIII-UHFFFAOYSA-N
MW448.48 g/mol
LogP2.59
Rot. Bonds6

About dimethyl 4-benzamido-5-(furan-2-yl)-3-phenylpyrrolidine-2,4-dicarboxylate

dimethyl 4-benzamido-5-(furan-2-yl)-3-phenylpyrrolidine-2,4-dicarboxylate (PubChem CID 102097797) has the molecular formula C25H24N2O6 and a molecular weight of 448.48 g/mol. Its IUPAC name is dimethyl 4-benzamido-5-(furan-2-yl)-3-phenylpyrrolidine-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-benzamido-5-(furan-2-yl)-3-phenylpyrrolidine-2,4-dicarboxylate
PubChem CID102097797
Molecular FormulaC25H24N2O6
Molecular Weight448.48 g/mol
Exact Mass448.16
IUPAC Namedimethyl 4-benzamido-5-(furan-2-yl)-3-phenylpyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)C1NC(c2ccco2)C(NC(=O)c2ccccc2)(C(=O)OC)C1c1ccccc1
InChIInChI=1S/C25H24N2O6/c1-31-23(29)20-19(16-10-5-3-6-11-16)25(24(30)32-2,21(26-20)18-14-9-15-33-18)27-22(28)17-12-7-4-8-13-17/h3-15,19-21,26H,1-2H3,(H,27,28)
InChIKeyXJGVNGKRMULIII-UHFFFAOYSA-N
XLogP2.59
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl (2R,3S,4S,5R)-4-benzamido-3-(4-methoxyphenyl)-5-phenylpyrrolidine-2,4-dicarboxylate
CID 71665023
dimethyl 4-benzamido-3-phenyl-5-[4-(trifluoromethyl)phenyl]pyrrolidine-2,4-dicarboxylate
CID 102097789
dimethyl (2R,3S,4S,5R)-4-benzamido-3-naphthalen-2-yl-5-phenylpyrrolidine-2,4-dicarboxylate
CID 134947772
methyl (1R,2S,3S,4S)-2-benzamido-3-phenylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 10736424
4-O,4-O'-diethyl 2-O-methyl (2S,3S,5S)-3-(4-chlorophenyl)-5-phenylpyrrolidine-2,4,4-tricarboxylate
CID 102132887
dimethyl 1,2-dibenzamido-3,4-bis(3-methylphenyl)cyclobutane-1,2-dicarboxylate
CID 164673236
methyl 5-(3-bromophenyl)-4,4-dicyano-3-phenylpyrrolidine-2-carboxylate
CID 170946010
4-O,4-O'-diethyl 2-O-methyl (2R,3R,5S)-3-phenyl-5-thiophen-2-ylpyrrolidine-2,4,4-tricarboxylate
CID 122234388
[3-(furan-2-yl)aziridin-2-yl]-phenylmethanone
CID 101449094
methyl (2S,3R,4S,5S)-3-(furan-2-yl)-4-nitro-5-(4-phenylphenyl)pyrrolidine-2-carboxylate
CID 102396649
methyl 5-benzoyl-4-(furan-2-yl)-4,5-dihydro-1H-pyrazole-3-carboxylate
CID 3312086
methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 121224065

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-benzamido-5-(furan-2-yl)-3-phenylpyrrolidine-2,4-dicarboxylate?
The IUPAC name of dimethyl 4-benzamido-5-(furan-2-yl)-3-phenylpyrrolidine-2,4-dicarboxylate (CID 102097797) is dimethyl 4-benzamido-5-(furan-2-yl)-3-phenylpyrrolidine-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 4-benzamido-5-(furan-2-yl)-3-phenylpyrrolidine-2,4-dicarboxylate?
The canonical SMILES for dimethyl 4-benzamido-5-(furan-2-yl)-3-phenylpyrrolidine-2,4-dicarboxylate is COC(=O)C1NC(c2ccco2)C(NC(=O)c2ccccc2)(C(=O)OC)C1c1ccccc1.
What is the InChIKey of dimethyl 4-benzamido-5-(furan-2-yl)-3-phenylpyrrolidine-2,4-dicarboxylate?
The InChIKey is XJGVNGKRMULIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O6/c1-31-23(29)20-19(16-10-5-3-6-11-16)25(24(30)32-2,21(26-20)18-14-9-15-33-18)27-22(28)17-12-7-4-8-13-17/h3-15,19-21,26H,1-2H3,(H,27,28).
What are the key properties of dimethyl 4-benzamido-5-(furan-2-yl)-3-phenylpyrrolidine-2,4-dicarboxylate?
dimethyl 4-benzamido-5-(furan-2-yl)-3-phenylpyrrolidine-2,4-dicarboxylate has a molecular weight of 448.48 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-benzamido-5-(furan-2-yl)-3-phenylpyrrolidine-2,4-dicarboxylate is sourced from PubChem (CID 102097797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).