2-cyano-N-(2-phenoxyethyl)acetamide

C11H12N2O2 — CID 573861

IUPAC2-cyano-N-(2-phenoxyethyl)acetamide
SMILESN#CCC(=O)NCCOc1ccccc1
InChIInChI=1S/C11H12N2O2/c12-7-6-11(14)13-8-9-15-10-4-2-1-3-5-10/h1-5H,6,8-9H2,(H,13,14)
InChIKeyLVYLVSVOBJBWGV-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.10
Rot. Bonds5

About 2-cyano-N-(2-phenoxyethyl)acetamide

2-cyano-N-(2-phenoxyethyl)acetamide (PubChem CID 573861) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-cyano-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2-phenoxyethyl)acetamide
PubChem CID573861
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-cyano-N-(2-phenoxyethyl)acetamide
SMILESN#CCC(=O)NCCOc1ccccc1
InChIInChI=1S/C11H12N2O2/c12-7-6-11(14)13-8-9-15-10-4-2-1-3-5-10/h1-5H,6,8-9H2,(H,13,14)
InChIKeyLVYLVSVOBJBWGV-UHFFFAOYSA-N
XLogP1.10
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-cyano-N-(2-phenoxyethyl)acetamide (CID 573861) is 2-cyano-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-cyano-N-(2-phenoxyethyl)acetamide is N#CCC(=O)NCCOc1ccccc1.
What is the InChIKey of 2-cyano-N-(2-phenoxyethyl)acetamide?
The InChIKey is LVYLVSVOBJBWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-7-6-11(14)13-8-9-15-10-4-2-1-3-5-10/h1-5H,6,8-9H2,(H,13,14).
What are the key properties of 2-cyano-N-(2-phenoxyethyl)acetamide?
2-cyano-N-(2-phenoxyethyl)acetamide has a molecular weight of 204.23 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 573861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).