2-cyano-N-(2,3,4-trimethylphenyl)acetamide

C12H14N2O — CID 115172937

IUPAC2-cyano-N-(2,3,4-trimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC#N)c(C)c1C
InChIInChI=1S/C12H14N2O/c1-8-4-5-11(10(3)9(8)2)14-12(15)6-7-13/h4-5H,6H2,1-3H3,(H,14,15)
InChIKeyZASCTBKTSMXEFT-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.46
Rot. Bonds2

About 2-cyano-N-(2,3,4-trimethylphenyl)acetamide

2-cyano-N-(2,3,4-trimethylphenyl)acetamide (PubChem CID 115172937) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-cyano-N-(2,3,4-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2,3,4-trimethylphenyl)acetamide
PubChem CID115172937
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-cyano-N-(2,3,4-trimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC#N)c(C)c1C
InChIInChI=1S/C12H14N2O/c1-8-4-5-11(10(3)9(8)2)14-12(15)6-7-13/h4-5H,6H2,1-3H3,(H,14,15)
InChIKeyZASCTBKTSMXEFT-UHFFFAOYSA-N
XLogP2.46
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(2,5-dimethylphenyl)acetamide
CID 2360619
4-[(2-cyanoacetyl)amino]-3-methylbenzenesulfonic acid
CID 168524082
N-(2-bromo-4-fluoro-3-methylphenyl)-2-cyanoacetamide
CID 168522520
2-cyano-N-[3-[[2-(dimethylamino)acetyl]amino]-2-methylphenyl]acetamide
CID 168521728
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
N-(3-chloro-2,6-dimethylphenyl)-2-cyanoacetamide
CID 82677698
4-[(2-cyanoacetyl)amino]-N-(2,3-dimethylphenyl)benzamide
CID 168520811
2-cyano-N-(4-methyl-2-methylsulfonylphenyl)acetamide
CID 168523802
2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 168521039
2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521757
5-oxo-5-(2,3,4-trimethylanilino)pentanoic acid
CID 115163822
ethyl 4-[(2-cyanoacetyl)amino]-3-methylbenzoate
CID 83303062

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,3,4-trimethylphenyl)acetamide?
The IUPAC name of 2-cyano-N-(2,3,4-trimethylphenyl)acetamide (CID 115172937) is 2-cyano-N-(2,3,4-trimethylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2,3,4-trimethylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(2,3,4-trimethylphenyl)acetamide is Cc1ccc(NC(=O)CC#N)c(C)c1C.
What is the InChIKey of 2-cyano-N-(2,3,4-trimethylphenyl)acetamide?
The InChIKey is ZASCTBKTSMXEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8-4-5-11(10(3)9(8)2)14-12(15)6-7-13/h4-5H,6H2,1-3H3,(H,14,15).
What are the key properties of 2-cyano-N-(2,3,4-trimethylphenyl)acetamide?
2-cyano-N-(2,3,4-trimethylphenyl)acetamide has a molecular weight of 202.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,3,4-trimethylphenyl)acetamide is sourced from PubChem (CID 115172937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).