4-[(4-ethoxyphenoxy)methyl]-N-pyridin-3-ylbenzamide

C21H20N2O3 — CID 3565187

IUPAC4-[(4-ethoxyphenoxy)methyl]-N-pyridin-3-ylbenzamide
SMILESCCOc1ccc(OCc2ccc(C(=O)Nc3cccnc3)cc2)cc1
InChIInChI=1S/C21H20N2O3/c1-2-25-19-9-11-20(12-10-19)26-15-16-5-7-17(8-6-16)21(24)23-18-4-3-13-22-14-18/h3-14H,2,15H2,1H3,(H,23,24)
InChIKeyIJOIACCXGSKVRI-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.31
Rot. Bonds7

About 4-[(4-ethoxyphenoxy)methyl]-N-pyridin-3-ylbenzamide

4-[(4-ethoxyphenoxy)methyl]-N-pyridin-3-ylbenzamide (PubChem CID 3565187) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-[(4-ethoxyphenoxy)methyl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[(4-ethoxyphenoxy)methyl]-N-pyridin-3-ylbenzamide
PubChem CID3565187
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name4-[(4-ethoxyphenoxy)methyl]-N-pyridin-3-ylbenzamide
SMILESCCOc1ccc(OCc2ccc(C(=O)Nc3cccnc3)cc2)cc1
InChIInChI=1S/C21H20N2O3/c1-2-25-19-9-11-20(12-10-19)26-15-16-5-7-17(8-6-16)21(24)23-18-4-3-13-22-14-18/h3-14H,2,15H2,1H3,(H,23,24)
InChIKeyIJOIACCXGSKVRI-UHFFFAOYSA-N
XLogP4.31
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethoxyphenoxy)methyl]-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-[(4-ethoxyphenoxy)methyl]-N-pyridin-3-ylbenzamide (CID 3565187) is 4-[(4-ethoxyphenoxy)methyl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[(4-ethoxyphenoxy)methyl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[(4-ethoxyphenoxy)methyl]-N-pyridin-3-ylbenzamide is CCOc1ccc(OCc2ccc(C(=O)Nc3cccnc3)cc2)cc1.
What is the InChIKey of 4-[(4-ethoxyphenoxy)methyl]-N-pyridin-3-ylbenzamide?
The InChIKey is IJOIACCXGSKVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-2-25-19-9-11-20(12-10-19)26-15-16-5-7-17(8-6-16)21(24)23-18-4-3-13-22-14-18/h3-14H,2,15H2,1H3,(H,23,24).
What are the key properties of 4-[(4-ethoxyphenoxy)methyl]-N-pyridin-3-ylbenzamide?
4-[(4-ethoxyphenoxy)methyl]-N-pyridin-3-ylbenzamide has a molecular weight of 348.40 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethoxyphenoxy)methyl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 3565187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).