4-[(4-cyano-2-ethoxyphenoxy)methyl]benzamide

C17H16N2O3 — CID 51263900

IUPAC4-[(4-cyano-2-ethoxyphenoxy)methyl]benzamide
SMILESCCOc1cc(C#N)ccc1OCc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H16N2O3/c1-2-21-16-9-13(10-18)5-8-15(16)22-11-12-3-6-14(7-4-12)17(19)20/h3-9H,2,11H2,1H3,(H2,19,20)
InChIKeyIZMVKMCIYTUFKB-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.63
Rot. Bonds6

About 4-[(4-cyano-2-ethoxyphenoxy)methyl]benzamide

4-[(4-cyano-2-ethoxyphenoxy)methyl]benzamide (PubChem CID 51263900) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-[(4-cyano-2-ethoxyphenoxy)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-cyano-2-ethoxyphenoxy)methyl]benzamide
PubChem CID51263900
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name4-[(4-cyano-2-ethoxyphenoxy)methyl]benzamide
SMILESCCOc1cc(C#N)ccc1OCc1ccc(C(N)=O)cc1
InChIInChI=1S/C17H16N2O3/c1-2-21-16-9-13(10-18)5-8-15(16)22-11-12-3-6-14(7-4-12)17(19)20/h3-9H,2,11H2,1H3,(H2,19,20)
InChIKeyIZMVKMCIYTUFKB-UHFFFAOYSA-N
XLogP2.63
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-4-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile
CID 110005223
3-ethoxy-4-[(4-iodophenyl)methoxy]benzonitrile
CID 60650936
4-[(4-bromophenyl)methoxy]-3-ethoxybenzonitrile
CID 22681511
3-ethoxy-4-phenylmethoxybenzonitrile;3-oxobutanoic acid
CID 174551287
4-[(4-cyanophenoxy)methyl]benzamide
CID 11831905
3-ethoxy-4-[2-oxo-2-(4-propylphenyl)ethoxy]benzonitrile
CID 112784032
benzyl 2-(4-cyano-2-ethoxyphenoxy)acetate
CID 27725620
4-[2-(4-bromophenyl)-2-oxoethoxy]-3-ethoxybenzonitrile
CID 7993336
N-[(4-cyanophenyl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 39858958
4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
4-[[[2-(4-cyano-2-ethoxyphenoxy)acetyl]amino]methyl]benzoic acid
CID 45304579
3-ethoxy-4-phenacyloxybenzonitrile
CID 7993363

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyano-2-ethoxyphenoxy)methyl]benzamide?
The IUPAC name of 4-[(4-cyano-2-ethoxyphenoxy)methyl]benzamide (CID 51263900) is 4-[(4-cyano-2-ethoxyphenoxy)methyl]benzamide.
What is the SMILES notation for 4-[(4-cyano-2-ethoxyphenoxy)methyl]benzamide?
The canonical SMILES for 4-[(4-cyano-2-ethoxyphenoxy)methyl]benzamide is CCOc1cc(C#N)ccc1OCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(4-cyano-2-ethoxyphenoxy)methyl]benzamide?
The InChIKey is IZMVKMCIYTUFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-21-16-9-13(10-18)5-8-15(16)22-11-12-3-6-14(7-4-12)17(19)20/h3-9H,2,11H2,1H3,(H2,19,20).
What are the key properties of 4-[(4-cyano-2-ethoxyphenoxy)methyl]benzamide?
4-[(4-cyano-2-ethoxyphenoxy)methyl]benzamide has a molecular weight of 296.33 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyano-2-ethoxyphenoxy)methyl]benzamide is sourced from PubChem (CID 51263900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).