2-(2-cyanophenoxy)-N-(2-imidazol-1-ylethyl)acetamide

C14H14N4O2 — CID 60716733

IUPAC2-(2-cyanophenoxy)-N-(2-imidazol-1-ylethyl)acetamide
SMILESN#Cc1ccccc1OCC(=O)NCCn1ccnc1
InChIInChI=1S/C14H14N4O2/c15-9-12-3-1-2-4-13(12)20-10-14(19)17-6-8-18-7-5-16-11-18/h1-5,7,11H,6,8,10H2,(H,17,19)
InChIKeyCJIBHRFLUGOJPA-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.95
Rot. Bonds6

About 2-(2-cyanophenoxy)-N-(2-imidazol-1-ylethyl)acetamide

2-(2-cyanophenoxy)-N-(2-imidazol-1-ylethyl)acetamide (PubChem CID 60716733) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(2-imidazol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(2-imidazol-1-ylethyl)acetamide
PubChem CID60716733
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-(2-cyanophenoxy)-N-(2-imidazol-1-ylethyl)acetamide
SMILESN#Cc1ccccc1OCC(=O)NCCn1ccnc1
InChIInChI=1S/C14H14N4O2/c15-9-12-3-1-2-4-13(12)20-10-14(19)17-6-8-18-7-5-16-11-18/h1-5,7,11H,6,8,10H2,(H,17,19)
InChIKeyCJIBHRFLUGOJPA-UHFFFAOYSA-N
XLogP0.95
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
CID 28993548
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide
CID 110473171
4-(2-bromophenoxy)-N-(2-imidazol-1-ylethyl)butanamide
CID 47040734
N-(2-imidazol-1-ylethyl)-2-methoxyacetamide
CID 60724975
2-(2-cyanophenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181302
2-(2-imidazol-1-ylethylamino)benzonitrile
CID 60677676
2-(2-cyanophenoxy)-N-(2-cyclopentylethyl)acetamide
CID 60731847
2-(2-cyanophenoxy)-N-(5,5,5-trifluoropentyl)acetamide
CID 115491599
2-(2-cyanophenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 71979331
2-(2-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285823
2-(2-cyanophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2565568

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(2-imidazol-1-ylethyl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(2-imidazol-1-ylethyl)acetamide (CID 60716733) is 2-(2-cyanophenoxy)-N-(2-imidazol-1-ylethyl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(2-imidazol-1-ylethyl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(2-imidazol-1-ylethyl)acetamide is N#Cc1ccccc1OCC(=O)NCCn1ccnc1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(2-imidazol-1-ylethyl)acetamide?
The InChIKey is CJIBHRFLUGOJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c15-9-12-3-1-2-4-13(12)20-10-14(19)17-6-8-18-7-5-16-11-18/h1-5,7,11H,6,8,10H2,(H,17,19).
What are the key properties of 2-(2-cyanophenoxy)-N-(2-imidazol-1-ylethyl)acetamide?
2-(2-cyanophenoxy)-N-(2-imidazol-1-ylethyl)acetamide has a molecular weight of 270.29 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(2-imidazol-1-ylethyl)acetamide is sourced from PubChem (CID 60716733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).