pyridin-2-ylmethyl 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylate

C20H19NO5 — CID 653780

IUPACpyridin-2-ylmethyl 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylate
SMILESCCOc1ccc(OCc2ccc(C(=O)OCc3ccccn3)o2)cc1
InChIInChI=1S/C20H19NO5/c1-2-23-16-6-8-17(9-7-16)24-14-18-10-11-19(26-18)20(22)25-13-15-5-3-4-12-21-15/h3-12H,2,13-14H2,1H3
InChIKeyVAMMELHNLPVAGZ-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.01
Rot. Bonds8

About pyridin-2-ylmethyl 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylate

pyridin-2-ylmethyl 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylate (PubChem CID 653780) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is pyridin-2-ylmethyl 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylate
PubChem CID653780
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Namepyridin-2-ylmethyl 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylate
SMILESCCOc1ccc(OCc2ccc(C(=O)OCc3ccccn3)o2)cc1
InChIInChI=1S/C20H19NO5/c1-2-23-16-6-8-17(9-7-16)24-14-18-10-11-19(26-18)20(22)25-13-15-5-3-4-12-21-15/h3-12H,2,13-14H2,1H3
InChIKeyVAMMELHNLPVAGZ-UHFFFAOYSA-N
XLogP4.01
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylate?
The IUPAC name of pyridin-2-ylmethyl 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylate (CID 653780) is pyridin-2-ylmethyl 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for pyridin-2-ylmethyl 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for pyridin-2-ylmethyl 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylate is CCOc1ccc(OCc2ccc(C(=O)OCc3ccccn3)o2)cc1.
What is the InChIKey of pyridin-2-ylmethyl 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylate?
The InChIKey is VAMMELHNLPVAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-2-23-16-6-8-17(9-7-16)24-14-18-10-11-19(26-18)20(22)25-13-15-5-3-4-12-21-15/h3-12H,2,13-14H2,1H3.
What are the key properties of pyridin-2-ylmethyl 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylate?
pyridin-2-ylmethyl 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylate has a molecular weight of 353.37 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 5-[(4-ethoxyphenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 653780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).