[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate

C17H14N2O6 — CID 7193785

IUPAC[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2o1)NC(=O)NCc1ccco1
InChIInChI=1S/C17H14N2O6/c20-15(19-17(22)18-9-12-5-3-7-23-12)10-24-16(21)14-8-11-4-1-2-6-13(11)25-14/h1-8H,9-10H2,(H2,18,19,20,22)
InChIKeyCHHOKTYOOGWHKY-UHFFFAOYSA-N
MW342.31 g/mol
LogP2.21
Rot. Bonds5

About [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate (PubChem CID 7193785) has the molecular formula C17H14N2O6 and a molecular weight of 342.31 g/mol. Its IUPAC name is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
PubChem CID7193785
Molecular FormulaC17H14N2O6
Molecular Weight342.31 g/mol
Exact Mass342.09
IUPAC Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate
SMILESO=C(COC(=O)c1cc2ccccc2o1)NC(=O)NCc1ccco1
InChIInChI=1S/C17H14N2O6/c20-15(19-17(22)18-9-12-5-3-7-23-12)10-24-16(21)14-8-11-4-1-2-6-13(11)25-14/h1-8H,9-10H2,(H2,18,19,20,22)
InChIKeyCHHOKTYOOGWHKY-UHFFFAOYSA-N
XLogP2.21
TPSA110.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate
CID 2631632
4-O-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 9116888
N-(furan-2-ylmethylcarbamothioyl)-1-benzofuran-2-carboxamide
CID 17100606
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2488908
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,6-dichloropyridine-2-carboxylate
CID 2485105
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2554865
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3,5-bis(trifluoromethyl)benzoate
CID 16526023
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507105
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590459
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-formylbenzoate
CID 2504373
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2631789
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523204

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate (CID 7193785) is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate is O=C(COC(=O)c1cc2ccccc2o1)NC(=O)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
The InChIKey is CHHOKTYOOGWHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O6/c20-15(19-17(22)18-9-12-5-3-7-23-12)10-24-16(21)14-8-11-4-1-2-6-13(11)25-14/h1-8H,9-10H2,(H2,18,19,20,22).
What are the key properties of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate?
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate has a molecular weight of 342.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-benzofuran-2-carboxylate is sourced from PubChem (CID 7193785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).