methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

C19H16N2O5 — CID 6618844

IUPACmethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2oc3ccccc3c2n1CC(=O)NCc1ccco1
InChIInChI=1S/C19H16N2O5/c1-24-19(23)14-9-16-18(13-6-2-3-7-15(13)26-16)21(14)11-17(22)20-10-12-5-4-8-25-12/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyXTWADLIYWGSRLY-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.08
Rot. Bonds5

About methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate (PubChem CID 6618844) has the molecular formula C19H16N2O5 and a molecular weight of 352.35 g/mol. Its IUPAC name is methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
PubChem CID6618844
Molecular FormulaC19H16N2O5
Molecular Weight352.35 g/mol
Exact Mass352.11
IUPAC Namemethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2oc3ccccc3c2n1CC(=O)NCc1ccco1
InChIInChI=1S/C19H16N2O5/c1-24-19(23)14-9-16-18(13-6-2-3-7-15(13)26-16)21(14)11-17(22)20-10-12-5-4-8-25-12/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyXTWADLIYWGSRLY-UHFFFAOYSA-N
XLogP3.08
TPSA86.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate with MolForge

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Related Compounds

methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]triazole-4-carboxylate
CID 103627033
methyl 1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
CID 92844176
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CID 53032952
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2-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 16896709
methyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 20883388
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CID 2394850
N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide
CID 71959422
N-(furan-2-ylmethyl)-2-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 16896715
ethyl 1-ethyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-methylbenzimidazol-1-ium-5-carboxylate
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N-(furan-2-ylmethyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
The IUPAC name of methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate (CID 6618844) is methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate is COC(=O)c1cc2oc3ccccc3c2n1CC(=O)NCc1ccco1.
What is the InChIKey of methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
The InChIKey is XTWADLIYWGSRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5/c1-24-19(23)14-9-16-18(13-6-2-3-7-15(13)26-16)21(14)11-17(22)20-10-12-5-4-8-25-12/h2-9H,10-11H2,1H3,(H,20,22).
What are the key properties of methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate has a molecular weight of 352.35 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-[1]benzofuro[3,2-b]pyrrole-2-carboxylate is sourced from PubChem (CID 6618844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).