2-(2-cyanophenoxy)-N-propan-2-ylacetamide

C12H14N2O2 — CID 2565339

IUPAC2-(2-cyanophenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccccc1C#N
InChIInChI=1S/C12H14N2O2/c1-9(2)14-12(15)8-16-11-6-4-3-5-10(11)7-13/h3-6,9H,8H2,1-2H3,(H,14,15)
InChIKeyWUKIHYJGIWUFOU-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.46
Rot. Bonds4

About 2-(2-cyanophenoxy)-N-propan-2-ylacetamide

2-(2-cyanophenoxy)-N-propan-2-ylacetamide (PubChem CID 2565339) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-propan-2-ylacetamide
PubChem CID2565339
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(2-cyanophenoxy)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccccc1C#N
InChIInChI=1S/C12H14N2O2/c1-9(2)14-12(15)8-16-11-6-4-3-5-10(11)7-13/h3-6,9H,8H2,1-2H3,(H,14,15)
InChIKeyWUKIHYJGIWUFOU-UHFFFAOYSA-N
XLogP1.46
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-propan-2-ylacetamide (CID 2565339) is 2-(2-cyanophenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)-N-propan-2-ylacetamide?
The InChIKey is WUKIHYJGIWUFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9(2)14-12(15)8-16-11-6-4-3-5-10(11)7-13/h3-6,9H,8H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-cyanophenoxy)-N-propan-2-ylacetamide?
2-(2-cyanophenoxy)-N-propan-2-ylacetamide has a molecular weight of 218.26 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-propan-2-ylacetamide is sourced from PubChem (CID 2565339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).