2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide

C12H14N2O2 — CID 24702557

IUPAC2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(CC#N)cc1
InChIInChI=1S/C12H14N2O2/c1-2-14-12(15)9-16-11-5-3-10(4-6-11)7-8-13/h3-6H,2,7,9H2,1H3,(H,14,15)
InChIKeyKAZRFHGFACDLIP-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.27
Rot. Bonds5

About 2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide

2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide (PubChem CID 24702557) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide
PubChem CID24702557
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(CC#N)cc1
InChIInChI=1S/C12H14N2O2/c1-2-14-12(15)9-16-11-5-3-10(4-6-11)7-8-13/h3-6H,2,7,9H2,1H3,(H,14,15)
InChIKeyKAZRFHGFACDLIP-UHFFFAOYSA-N
XLogP1.27
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyanomethyl)phenoxy]-N-(3-cyanopropyl)acetamide
CID 75454453
N-ethyl-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 24701129
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide
CID 43366447
2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide
CID 43824284
N-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 9259898
2-[4-(cyanomethyl)phenoxy]-N-(2-ethylsulfonylphenyl)acetamide
CID 47078845
2-[4-(cyanomethyl)phenoxy]-N-[3-(1-phenylethoxy)propyl]acetamide
CID 60513974
4-(cyanomethyl)-N-ethylbenzamide
CID 82178780
N-ethyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63364320
2-[4-(cyanomethyl)phenoxy]-N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 55524068
2-chloro-N-[2-[4-(cyanomethyl)phenoxy]ethyl]acetamide
CID 146086113
N-(5-amino-2-methylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide
CID 16794287

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide?
The IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide (CID 24702557) is 2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide is CCNC(=O)COc1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide?
The InChIKey is KAZRFHGFACDLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-14-12(15)9-16-11-5-3-10(4-6-11)7-8-13/h3-6H,2,7,9H2,1H3,(H,14,15).
What are the key properties of 2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide?
2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide has a molecular weight of 218.26 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethyl)phenoxy]-N-ethylacetamide is sourced from PubChem (CID 24702557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).