2-(2-cyanophenoxy)-N-(ethylcarbamoyl)acetamide

C12H13N3O3 — CID 2565436

IUPAC2-(2-cyanophenoxy)-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)COc1ccccc1C#N
InChIInChI=1S/C12H13N3O3/c1-2-14-12(17)15-11(16)8-18-10-6-4-3-5-9(10)7-13/h3-6H,2,8H2,1H3,(H2,14,15,16,17)
InChIKeyUNUQVPWCWIQWSS-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.78
Rot. Bonds4

About 2-(2-cyanophenoxy)-N-(ethylcarbamoyl)acetamide

2-(2-cyanophenoxy)-N-(ethylcarbamoyl)acetamide (PubChem CID 2565436) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(ethylcarbamoyl)acetamide
PubChem CID2565436
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-(2-cyanophenoxy)-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)COc1ccccc1C#N
InChIInChI=1S/C12H13N3O3/c1-2-14-12(17)15-11(16)8-18-10-6-4-3-5-9(10)7-13/h3-6H,2,8H2,1H3,(H2,14,15,16,17)
InChIKeyUNUQVPWCWIQWSS-UHFFFAOYSA-N
XLogP0.78
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyanophenoxy)-N-(propan-2-yl)acetamide
CID 2565339
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 4800874
N-[2-(2-Propylphenoxy)ethyl]acetamide
CID 559346
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 729861
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 2098388
2-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2177231
2-(2,5-dimethylphenoxy)-N-prop-2-enylacetamide
CID 2269251
N-(tert-butylcarbamoyl)-2-(2-cyanophenoxy)acetamide
CID 2565283
N-(benzylcarbamoyl)-2-(2-cyanophenoxy)acetamide
CID 2565327
2-[4-(4-cyanophenyl)phenoxy]-N-(propylcarbamoyl)acetamide
CID 2650084
2-(2-cyanophenoxy)-N-cycloheptylacetamide
CID 4798427
2-(2-cyanophenoxy)-N-cyclohexylacetamide
CID 2341761

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(ethylcarbamoyl)acetamide (CID 2565436) is 2-(2-cyanophenoxy)-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)COc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(ethylcarbamoyl)acetamide?
The InChIKey is UNUQVPWCWIQWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-2-14-12(17)15-11(16)8-18-10-6-4-3-5-9(10)7-13/h3-6H,2,8H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-(2-cyanophenoxy)-N-(ethylcarbamoyl)acetamide?
2-(2-cyanophenoxy)-N-(ethylcarbamoyl)acetamide has a molecular weight of 247.25 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 2565436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).