5-[(4-ethoxyphenoxy)methyl]-N-(4-pyridinylmethyl)-2-furamide

C20H20N2O4 — CID 2166338

IUPAC5-[(4-ethoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide
SMILESCCOC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NCC3=CC=NC=C3
InChIInChI=1S/C20H20N2O4/c1-2-24-16-3-5-17(6-4-16)25-14-18-7-8-19(26-18)20(23)22-13-15-9-11-21-12-10-15/h3-12H,2,13-14H2,1H3,(H,22,23)
InChIKeyQEAZZHRTFVWARC-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.90
Rot. Bonds8

About 5-[(4-ethoxyphenoxy)methyl]-N-(4-pyridinylmethyl)-2-furamide

5-[(4-ethoxyphenoxy)methyl]-N-(4-pyridinylmethyl)-2-furamide (PubChem CID 2166338) has the molecular formula C20H20N2O4 and a molecular weight of 352.40 g/mol. Its IUPAC name is 5-[(4-ethoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-ethoxyphenoxy)methyl]-N-(4-pyridinylmethyl)-2-furamide
PubChem CID2166338
Molecular FormulaC20H20N2O4
Molecular Weight352.40 g/mol
Exact Mass352.14
IUPAC Name5-[(4-ethoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide
SMILESCCOC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NCC3=CC=NC=C3
InChIInChI=1S/C20H20N2O4/c1-2-24-16-3-5-17(6-4-16)25-14-18-7-8-19(26-18)20(23)22-13-15-9-11-21-12-10-15/h3-12H,2,13-14H2,1H3,(H,22,23)
InChIKeyQEAZZHRTFVWARC-UHFFFAOYSA-N
XLogP2.90
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity420

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethoxyphenoxy)methyl]-N-(4-pyridinylmethyl)-2-furamide?
The IUPAC name of 5-[(4-ethoxyphenoxy)methyl]-N-(4-pyridinylmethyl)-2-furamide (CID 2166338) is 5-[(4-ethoxyphenoxy)methyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-ethoxyphenoxy)methyl]-N-(4-pyridinylmethyl)-2-furamide?
The canonical SMILES for 5-[(4-ethoxyphenoxy)methyl]-N-(4-pyridinylmethyl)-2-furamide is CCOC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)NCC3=CC=NC=C3.
What is the InChIKey of 5-[(4-ethoxyphenoxy)methyl]-N-(4-pyridinylmethyl)-2-furamide?
The InChIKey is QEAZZHRTFVWARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-2-24-16-3-5-17(6-4-16)25-14-18-7-8-19(26-18)20(23)22-13-15-9-11-21-12-10-15/h3-12H,2,13-14H2,1H3,(H,22,23).
What are the key properties of 5-[(4-ethoxyphenoxy)methyl]-N-(4-pyridinylmethyl)-2-furamide?
5-[(4-ethoxyphenoxy)methyl]-N-(4-pyridinylmethyl)-2-furamide has a molecular weight of 352.40 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenoxy)methyl]-N-(4-pyridinylmethyl)-2-furamide is sourced from PubChem (CID 2166338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).