methyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate

C18H18N2O4 — CID 20883388

IUPACmethyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1CC(=O)NCCc1ccccc1
InChIInChI=1S/C18H18N2O4/c1-23-18(22)15-11-16-14(8-10-24-16)20(15)12-17(21)19-9-7-13-5-3-2-4-6-13/h2-6,8,10-11H,7,9,12H2,1H3,(H,19,21)
InChIKeyTZFDSNDOODEFSZ-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.38
Rot. Bonds6

About methyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate

methyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 20883388) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is methyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate
PubChem CID20883388
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Namemethyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1CC(=O)NCCc1ccccc1
InChIInChI=1S/C18H18N2O4/c1-23-18(22)15-11-16-14(8-10-24-16)20(15)12-17(21)19-9-7-13-5-3-2-4-6-13/h2-6,8,10-11H,7,9,12H2,1H3,(H,19,21)
InChIKeyTZFDSNDOODEFSZ-UHFFFAOYSA-N
XLogP2.38
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate with MolForge

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Related Compounds

4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42792567
ethyl 2-methyl-4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438768
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 43817614
4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790861
methyl 6-[2-oxo-2-(3-phenylpropylamino)ethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53024504
4-[(2,5-dimethylphenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 7201900
methyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
CID 20883200
methyl 3-oxo-3-(2-phenylethylamino)propanoate
CID 15006667
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 4651741
4-(carboxymethyl)furo[3,2-b]pyrrole-5-carboxylic acid
CID 12733404
2-[(2-methylpropan-2-yl)oxy]-N-(2-phenylethyl)acetamide
CID 112604896
ethyl 4-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 1438701

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate (CID 20883388) is methyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2occc2n1CC(=O)NCCc1ccccc1.
What is the InChIKey of methyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is TZFDSNDOODEFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-23-18(22)15-11-16-14(8-10-24-16)20(15)12-17(21)19-9-7-13-5-3-2-4-6-13/h2-6,8,10-11H,7,9,12H2,1H3,(H,19,21).
What are the key properties of methyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate?
methyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 20883388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).