2-cyano-N-methyl-2-(4-methylphenyl)acetamide

C11H12N2O — CID 130010975

IUPAC2-cyano-N-methyl-2-(4-methylphenyl)acetamide
SMILESCNC(=O)C(C#N)c1ccc(C)cc1
InChIInChI=1S/C11H12N2O/c1-8-3-5-9(6-4-8)10(7-12)11(14)13-2/h3-6,10H,1-2H3,(H,13,14)
InChIKeyZOWRHVDWBLGEII-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.35
Rot. Bonds2

About 2-cyano-N-methyl-2-(4-methylphenyl)acetamide

2-cyano-N-methyl-2-(4-methylphenyl)acetamide (PubChem CID 130010975) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-cyano-N-methyl-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-methyl-2-(4-methylphenyl)acetamide
PubChem CID130010975
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-cyano-N-methyl-2-(4-methylphenyl)acetamide
SMILESCNC(=O)C(C#N)c1ccc(C)cc1
InChIInChI=1S/C11H12N2O/c1-8-3-5-9(6-4-8)10(7-12)11(14)13-2/h3-6,10H,1-2H3,(H,13,14)
InChIKeyZOWRHVDWBLGEII-UHFFFAOYSA-N
XLogP1.35
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-methyl-2-(4-methylphenyl)-3-oxopentanenitrile
CID 94254668
2-(4-methylphenyl)-3-oxopentanenitrile
CID 11074143
ethyl (2S)-2-cyano-2-(4-methylphenyl)acetate
CID 13004220
2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 62878754
2-cyano-N-(3,5-dimethylphenyl)-2-phenylacetamide
CID 62878043
4-methyl-2-(4-methylphenyl)-3-oxohexanenitrile
CID 62831018
N,3-dimethyl-2-(4-methylphenyl)butanamide
CID 118371719
N-methyl-2-(4-methylphenyl)butanamide
CID 177273297
2-(4-methylphenyl)-3-oxododecanenitrile
CID 65428253
3-(3-bromo-4-methylphenyl)-2-(4-methylphenyl)-3-oxopropanenitrile
CID 81471888
3-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)-3-oxopropanenitrile
CID 62829978
2-cyano-N-ethyl-2-phenylacetamide
CID 62877347

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-methyl-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-cyano-N-methyl-2-(4-methylphenyl)acetamide (CID 130010975) is 2-cyano-N-methyl-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-methyl-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-methyl-2-(4-methylphenyl)acetamide is CNC(=O)C(C#N)c1ccc(C)cc1.
What is the InChIKey of 2-cyano-N-methyl-2-(4-methylphenyl)acetamide?
The InChIKey is ZOWRHVDWBLGEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-3-5-9(6-4-8)10(7-12)11(14)13-2/h3-6,10H,1-2H3,(H,13,14).
What are the key properties of 2-cyano-N-methyl-2-(4-methylphenyl)acetamide?
2-cyano-N-methyl-2-(4-methylphenyl)acetamide has a molecular weight of 188.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-methyl-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 130010975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).