ethyl 4-hydroxy-2-(naphthalen-2-ylamino)furan-3-carboxylate

C17H15NO4 — CID 91898814

IUPACethyl 4-hydroxy-2-(naphthalen-2-ylamino)furan-3-carboxylate
SMILESCCOC(=O)c1c(O)coc1Nc1ccc2ccccc2c1
InChIInChI=1S/C17H15NO4/c1-2-21-17(20)15-14(19)10-22-16(15)18-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,18-19H,2H2,1H3
InChIKeyNSDPDQCXXXTYJD-UHFFFAOYSA-N
MW297.31 g/mol
LogP4.06
Rot. Bonds4

About ethyl 4-hydroxy-2-(naphthalen-2-ylamino)furan-3-carboxylate

ethyl 4-hydroxy-2-(naphthalen-2-ylamino)furan-3-carboxylate (PubChem CID 91898814) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-(naphthalen-2-ylamino)furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-(naphthalen-2-ylamino)furan-3-carboxylate
PubChem CID91898814
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Nameethyl 4-hydroxy-2-(naphthalen-2-ylamino)furan-3-carboxylate
SMILESCCOC(=O)c1c(O)coc1Nc1ccc2ccccc2c1
InChIInChI=1S/C17H15NO4/c1-2-21-17(20)15-14(19)10-22-16(15)18-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,18-19H,2H2,1H3
InChIKeyNSDPDQCXXXTYJD-UHFFFAOYSA-N
XLogP4.06
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-(naphthalen-2-ylamino)furan-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-(naphthalen-2-ylamino)furan-3-carboxylate (CID 91898814) is ethyl 4-hydroxy-2-(naphthalen-2-ylamino)furan-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-(naphthalen-2-ylamino)furan-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-(naphthalen-2-ylamino)furan-3-carboxylate is CCOC(=O)c1c(O)coc1Nc1ccc2ccccc2c1.
What is the InChIKey of ethyl 4-hydroxy-2-(naphthalen-2-ylamino)furan-3-carboxylate?
The InChIKey is NSDPDQCXXXTYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-2-21-17(20)15-14(19)10-22-16(15)18-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,18-19H,2H2,1H3.
What are the key properties of ethyl 4-hydroxy-2-(naphthalen-2-ylamino)furan-3-carboxylate?
ethyl 4-hydroxy-2-(naphthalen-2-ylamino)furan-3-carboxylate has a molecular weight of 297.31 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-(naphthalen-2-ylamino)furan-3-carboxylate is sourced from PubChem (CID 91898814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).