2-cyano-N-(3-ethoxyphenyl)acetamide

C11H12N2O2 — CID 2274919

IUPAC2-cyano-N-(3-ethoxyphenyl)acetamide
SMILESCCOc1cccc(NC(=O)CC#N)c1
InChIInChI=1S/C11H12N2O2/c1-2-15-10-5-3-4-9(8-10)13-11(14)6-7-12/h3-5,8H,2,6H2,1H3,(H,13,14)
InChIKeyIUAFAIATPDHEEX-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.94
Rot. Bonds4

About 2-cyano-N-(3-ethoxyphenyl)acetamide

2-cyano-N-(3-ethoxyphenyl)acetamide (PubChem CID 2274919) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-cyano-N-(3-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(3-ethoxyphenyl)acetamide
PubChem CID2274919
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-cyano-N-(3-ethoxyphenyl)acetamide
SMILESCCOc1cccc(NC(=O)CC#N)c1
InChIInChI=1S/C11H12N2O2/c1-2-15-10-5-3-4-9(8-10)13-11(14)6-7-12/h3-5,8H,2,6H2,1H3,(H,13,14)
InChIKeyIUAFAIATPDHEEX-UHFFFAOYSA-N
XLogP1.94
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-ethoxyphenyl)acetamide?
The IUPAC name of 2-cyano-N-(3-ethoxyphenyl)acetamide (CID 2274919) is 2-cyano-N-(3-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(3-ethoxyphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(3-ethoxyphenyl)acetamide is CCOc1cccc(NC(=O)CC#N)c1.
What is the InChIKey of 2-cyano-N-(3-ethoxyphenyl)acetamide?
The InChIKey is IUAFAIATPDHEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-15-10-5-3-4-9(8-10)13-11(14)6-7-12/h3-5,8H,2,6H2,1H3,(H,13,14).
What are the key properties of 2-cyano-N-(3-ethoxyphenyl)acetamide?
2-cyano-N-(3-ethoxyphenyl)acetamide has a molecular weight of 204.23 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-ethoxyphenyl)acetamide is sourced from PubChem (CID 2274919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).