2-(2-cyanophenoxy)-N-(methylcarbamoyl)acetamide

C11H11N3O3 — CID 2565402

IUPAC2-(2-cyanophenoxy)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)COc1ccccc1C#N
InChIInChI=1S/C11H11N3O3/c1-13-11(16)14-10(15)7-17-9-5-3-2-4-8(9)6-12/h2-5H,7H2,1H3,(H2,13,14,15,16)
InChIKeyKKRASZQPDXYSRX-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.39
Rot. Bonds3

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

2-(2-cyanophenoxy)-N-(methylcarbamoyl)acetamide (PubChem CID 2565402) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(methylcarbamoyl)acetamide
PubChem CID2565402
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-(2-cyanophenoxy)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)COc1ccccc1C#N
InChIInChI=1S/C11H11N3O3/c1-13-11(16)14-10(15)7-17-9-5-3-2-4-8(9)6-12/h2-5H,7H2,1H3,(H2,13,14,15,16)
InChIKeyKKRASZQPDXYSRX-UHFFFAOYSA-N
XLogP0.39
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(methylcarbamoyl)acetamide (CID 2565402) is 2-(2-cyanophenoxy)-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)COc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(methylcarbamoyl)acetamide?
The InChIKey is KKRASZQPDXYSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-13-11(16)14-10(15)7-17-9-5-3-2-4-8(9)6-12/h2-5H,7H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-(2-cyanophenoxy)-N-(methylcarbamoyl)acetamide?
2-(2-cyanophenoxy)-N-(methylcarbamoyl)acetamide has a molecular weight of 233.23 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 2565402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).