2-cyano-N-(1-phenylethyl)acetamide

C11H12N2O — CID 5006670

IUPAC2-cyano-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CC#N)c1ccccc1
InChIInChI=1S/C11H12N2O/c1-9(13-11(14)7-8-12)10-5-3-2-4-6-10/h2-6,9H,7H2,1H3,(H,13,14)
InChIKeyRZFUCBLCIHIKHV-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.78
Rot. Bonds3

About 2-cyano-N-(1-phenylethyl)acetamide

2-cyano-N-(1-phenylethyl)acetamide (PubChem CID 5006670) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-cyano-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(1-phenylethyl)acetamide
PubChem CID5006670
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-cyano-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CC#N)c1ccccc1
InChIInChI=1S/C11H12N2O/c1-9(13-11(14)7-8-12)10-5-3-2-4-6-10/h2-6,9H,7H2,1H3,(H,13,14)
InChIKeyRZFUCBLCIHIKHV-UHFFFAOYSA-N
XLogP1.78
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-cyano-N-(1-phenylethyl)acetamide (CID 5006670) is 2-cyano-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-cyano-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-cyano-N-(1-phenylethyl)acetamide is CC(NC(=O)CC#N)c1ccccc1.
What is the InChIKey of 2-cyano-N-(1-phenylethyl)acetamide?
The InChIKey is RZFUCBLCIHIKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9(13-11(14)7-8-12)10-5-3-2-4-6-10/h2-6,9H,7H2,1H3,(H,13,14).
What are the key properties of 2-cyano-N-(1-phenylethyl)acetamide?
2-cyano-N-(1-phenylethyl)acetamide has a molecular weight of 188.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 5006670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).