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

C20H19NO7 — CID 3889938

IUPACethyl 3-[2-(furan-2-carbonylamino)propanoyloxymethyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COC(=O)C(C)NC(=O)c1ccco1
InChIInChI=1S/C20H19NO7/c1-3-25-20(24)17-14(13-7-4-5-8-15(13)28-17)11-27-19(23)12(2)21-18(22)16-9-6-10-26-16/h4-10,12H,3,11H2,1-2H3,(H,21,22)
InChIKeyHMWHZTRSLDBGGY-UHFFFAOYSA-N
MW385.37 g/mol
LogP3.06
Rot. Bonds7

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

ethyl 3-[2-(furan-2-carbonylamino)propanoyloxymethyl]-1-benzofuran-2-carboxylate (PubChem CID 3889938) has the molecular formula C20H19NO7 and a molecular weight of 385.37 g/mol. Its IUPAC name is ethyl 3-[2-(furan-2-carbonylamino)propanoyloxymethyl]-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-(furan-2-carbonylamino)propanoyloxymethyl]-1-benzofuran-2-carboxylate
PubChem CID3889938
Molecular FormulaC20H19NO7
Molecular Weight385.37 g/mol
Exact Mass385.12
IUPAC Nameethyl 3-[2-(furan-2-carbonylamino)propanoyloxymethyl]-1-benzofuran-2-carboxylate
SMILESCCOC(=O)c1oc2ccccc2c1COC(=O)C(C)NC(=O)c1ccco1
InChIInChI=1S/C20H19NO7/c1-3-25-20(24)17-14(13-7-4-5-8-15(13)28-17)11-27-19(23)12(2)21-18(22)16-9-6-10-26-16/h4-10,12H,3,11H2,1-2H3,(H,21,22)
InChIKeyHMWHZTRSLDBGGY-UHFFFAOYSA-N
XLogP3.06
TPSA107.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 53.06
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)propanoyloxymethyl]-1-benzofuran-2-carboxylate?
The IUPAC name of ethyl 3-[2-(furan-2-carbonylamino)propanoyloxymethyl]-1-benzofuran-2-carboxylate (CID 3889938) is ethyl 3-[2-(furan-2-carbonylamino)propanoyloxymethyl]-1-benzofuran-2-carboxylate.
What is the SMILES notation for ethyl 3-[2-(furan-2-carbonylamino)propanoyloxymethyl]-1-benzofuran-2-carboxylate?
The canonical SMILES for ethyl 3-[2-(furan-2-carbonylamino)propanoyloxymethyl]-1-benzofuran-2-carboxylate is CCOC(=O)c1oc2ccccc2c1COC(=O)C(C)NC(=O)c1ccco1.
What is the InChIKey of ethyl 3-[2-(furan-2-carbonylamino)propanoyloxymethyl]-1-benzofuran-2-carboxylate?
The InChIKey is HMWHZTRSLDBGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO7/c1-3-25-20(24)17-14(13-7-4-5-8-15(13)28-17)11-27-19(23)12(2)21-18(22)16-9-6-10-26-16/h4-10,12H,3,11H2,1-2H3,(H,21,22).
What are the key properties of ethyl 3-[2-(furan-2-carbonylamino)propanoyloxymethyl]-1-benzofuran-2-carboxylate?
ethyl 3-[2-(furan-2-carbonylamino)propanoyloxymethyl]-1-benzofuran-2-carboxylate has a molecular weight of 385.37 g/mol, XLogP of 3.06, 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)propanoyloxymethyl]-1-benzofuran-2-carboxylate is sourced from PubChem (CID 3889938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).