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

C11H12N2O — CID 2345033

IUPAC2-cyano-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC#N)cc1C
InChIInChI=1S/C11H12N2O/c1-8-3-4-10(7-9(8)2)13-11(14)5-6-12/h3-4,7H,5H2,1-2H3,(H,13,14)
InChIKeyIOVXWSZVPOVPHF-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.16
Rot. Bonds2

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

2-cyano-N-(3,4-dimethylphenyl)acetamide (PubChem CID 2345033) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-cyano-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(3,4-dimethylphenyl)acetamide
PubChem CID2345033
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-cyano-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC#N)cc1C
InChIInChI=1S/C11H12N2O/c1-8-3-4-10(7-9(8)2)13-11(14)5-6-12/h3-4,7H,5H2,1-2H3,(H,13,14)
InChIKeyIOVXWSZVPOVPHF-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyano-N-(3,4-dimethylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-N-(3-fluoro-4-methylphenyl)acetamide
CID 24693898
2-cyano-N-[3-(3,4-dimethylbenzoyl)phenyl]acetamide
CID 168520748
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-[3-(methanesulfonamido)-4-methylphenyl]acetamide
CID 168520574
N-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide
CID 168523333
N-[4-[(2-cyanoacetyl)amino]-2-methylphenyl]butanamide
CID 168522119
N-[[4-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4-dimethylbenzamide
CID 108923285
2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide
CID 168522703
1-cyano-N-(3,4-dimethylphenyl)formamide
CID 4056837
3-cyano-N-(3,4-dimethylphenyl)butanamide
CID 82113806
tert-butyl 4-[(2-cyanoacetyl)amino]-2-methylbenzoate
CID 91661071
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4-dimethylbenzamide
CID 108924079

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-cyano-N-(3,4-dimethylphenyl)acetamide (CID 2345033) is 2-cyano-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CC#N)cc1C.
What is the InChIKey of 2-cyano-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is IOVXWSZVPOVPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-3-4-10(7-9(8)2)13-11(14)5-6-12/h3-4,7H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-cyano-N-(3,4-dimethylphenyl)acetamide?
2-cyano-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 188.23 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 2345033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).