ethyl 4-hydroxy-2-(4-phenylmethoxyanilino)furan-3-carboxylate

C20H19NO5 — CID 91581205

IUPACethyl 4-hydroxy-2-(4-phenylmethoxyanilino)furan-3-carboxylate
SMILESCCOC(=O)c1c(O)coc1Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H19NO5/c1-2-24-20(23)18-17(22)13-26-19(18)21-15-8-10-16(11-9-15)25-12-14-6-4-3-5-7-14/h3-11,13,21-22H,2,12H2,1H3
InChIKeyFOERQDYTCYLZHF-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.48
Rot. Bonds7

About ethyl 4-hydroxy-2-(4-phenylmethoxyanilino)furan-3-carboxylate

ethyl 4-hydroxy-2-(4-phenylmethoxyanilino)furan-3-carboxylate (PubChem CID 91581205) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-(4-phenylmethoxyanilino)furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-(4-phenylmethoxyanilino)furan-3-carboxylate
PubChem CID91581205
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Nameethyl 4-hydroxy-2-(4-phenylmethoxyanilino)furan-3-carboxylate
SMILESCCOC(=O)c1c(O)coc1Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H19NO5/c1-2-24-20(23)18-17(22)13-26-19(18)21-15-8-10-16(11-9-15)25-12-14-6-4-3-5-7-14/h3-11,13,21-22H,2,12H2,1H3
InChIKeyFOERQDYTCYLZHF-UHFFFAOYSA-N
XLogP4.48
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-(4-phenylmethoxyanilino)furan-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-(4-phenylmethoxyanilino)furan-3-carboxylate (CID 91581205) is ethyl 4-hydroxy-2-(4-phenylmethoxyanilino)furan-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-(4-phenylmethoxyanilino)furan-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-(4-phenylmethoxyanilino)furan-3-carboxylate is CCOC(=O)c1c(O)coc1Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of ethyl 4-hydroxy-2-(4-phenylmethoxyanilino)furan-3-carboxylate?
The InChIKey is FOERQDYTCYLZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-2-24-20(23)18-17(22)13-26-19(18)21-15-8-10-16(11-9-15)25-12-14-6-4-3-5-7-14/h3-11,13,21-22H,2,12H2,1H3.
What are the key properties of ethyl 4-hydroxy-2-(4-phenylmethoxyanilino)furan-3-carboxylate?
ethyl 4-hydroxy-2-(4-phenylmethoxyanilino)furan-3-carboxylate has a molecular weight of 353.37 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-(4-phenylmethoxyanilino)furan-3-carboxylate is sourced from PubChem (CID 91581205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).