ethyl 3-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate

C19H17NO7 — CID 24978645

IUPACethyl 3-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C19H17NO7/c1-2-24-19(23)17-13(12-6-3-4-7-14(12)27-17)11-26-16(21)10-20-18(22)15-8-5-9-25-15/h3-9H,2,10-11H2,1H3,(H,20,22)
InChIKeyFBSZZILAVDBRRK-UHFFFAOYSA-N
MW371.35 g/mol
LogP2.68
Rot. Bonds7

About ethyl 3-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate

ethyl 3-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate (PubChem CID 24978645) has the molecular formula C19H17NO7 and a molecular weight of 371.35 g/mol. Its IUPAC name is ethyl 3-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate
PubChem CID24978645
Molecular FormulaC19H17NO7
Molecular Weight371.35 g/mol
Exact Mass371.10
IUPAC Nameethyl 3-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C19H17NO7/c1-2-24-19(23)17-13(12-6-3-4-7-14(12)27-17)11-26-16(21)10-20-18(22)15-8-5-9-25-15/h3-9H,2,10-11H2,1H3,(H,20,22)
InChIKeyFBSZZILAVDBRRK-UHFFFAOYSA-N
XLogP2.68
TPSA107.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate (CID 24978645) is ethyl 3-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1COC(=O)CNC(=O)c1ccco1.
What is the InChIKey of ethyl 3-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate?
The InChIKey is FBSZZILAVDBRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO7/c1-2-24-19(23)17-13(12-6-3-4-7-14(12)27-17)11-26-16(21)10-20-18(22)15-8-5-9-25-15/h3-9H,2,10-11H2,1H3,(H,20,22).
What are the key properties of ethyl 3-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate?
ethyl 3-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate has a molecular weight of 371.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 24978645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).