2-cyano-N-ethyl-2-phenylacetamide

C11H12N2O — CID 62877347

IUPAC2-cyano-N-ethyl-2-phenylacetamide
SMILESCCNC(=O)C(C#N)c1ccccc1
InChIInChI=1S/C11H12N2O/c1-2-13-11(14)10(8-12)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3,(H,13,14)
InChIKeyHHPKSDOVIFLXHD-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.43
Rot. Bonds3

About 2-cyano-N-ethyl-2-phenylacetamide

2-cyano-N-ethyl-2-phenylacetamide (PubChem CID 62877347) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-cyano-N-ethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-ethyl-2-phenylacetamide
PubChem CID62877347
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-cyano-N-ethyl-2-phenylacetamide
SMILESCCNC(=O)C(C#N)c1ccccc1
InChIInChI=1S/C11H12N2O/c1-2-13-11(14)10(8-12)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3,(H,13,14)
InChIKeyHHPKSDOVIFLXHD-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide
CID 107857146
2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide
CID 64912505
2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide
CID 106391157
2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 62878754
2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide
CID 106337642
2-cyano-2-phenyl-N-(4,4,4-trifluorobutyl)acetamide
CID 115519640
N-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide
CID 62878231
(2R)-2-cyano-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 951669
2-cyano-N-(3-hydroxy-4-methoxybutyl)-2-phenylacetamide
CID 106247860
N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide
CID 113230171
2-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenylacetamide
CID 107853090
(2R)-2-cyano-2-phenylacetic acid
CID 6999087

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethyl-2-phenylacetamide?
The IUPAC name of 2-cyano-N-ethyl-2-phenylacetamide (CID 62877347) is 2-cyano-N-ethyl-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-ethyl-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-ethyl-2-phenylacetamide is CCNC(=O)C(C#N)c1ccccc1.
What is the InChIKey of 2-cyano-N-ethyl-2-phenylacetamide?
The InChIKey is HHPKSDOVIFLXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-13-11(14)10(8-12)9-6-4-3-5-7-9/h3-7,10H,2H2,1H3,(H,13,14).
What are the key properties of 2-cyano-N-ethyl-2-phenylacetamide?
2-cyano-N-ethyl-2-phenylacetamide has a molecular weight of 188.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethyl-2-phenylacetamide is sourced from PubChem (CID 62877347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).