N-benzyl-2-cyano-N-methylacetamide

C11H12N2O — CID 24707572

IUPACN-benzyl-2-cyano-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CC#N
InChIInChI=1S/C11H12N2O/c1-13(11(14)7-8-12)9-10-5-3-2-4-6-10/h2-6H,7,9H2,1H3
InChIKeyZFCMAYPKJGUUNJ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.56
Rot. Bonds3

About N-benzyl-2-cyano-N-methylacetamide

N-benzyl-2-cyano-N-methylacetamide (PubChem CID 24707572) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-benzyl-2-cyano-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-cyano-N-methylacetamide
PubChem CID24707572
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-benzyl-2-cyano-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CC#N
InChIInChI=1S/C11H12N2O/c1-13(11(14)7-8-12)9-10-5-3-2-4-6-10/h2-6H,7,9H2,1H3
InChIKeyZFCMAYPKJGUUNJ-UHFFFAOYSA-N
XLogP1.56
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2-cyano-N-methylacetamide 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

N,N-Diethylbenzamide
CID 15542
Tebutam
CID 92299
1-(Phenylmethyl)-2,5-pyrrolidinedione
CID 95241
Benzylmaleimide
CID 74204
1-Benzyl-3-pyrrolidone
CID 79176
N-Benzylacetamide
CID 11500
1-Benzylazepan-2-one
CID 1491068
Acetamide, N,N-bis(phenylmethyl)-
CID 82657
N-Acetylmethamphetamine
CID 526655
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
N-benzyl-2-cyanoacetamide
CID 668298
1-Benzyl-1,2-dihydropyridin-2-one
CID 244078

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-cyano-N-methylacetamide?
The IUPAC name of N-benzyl-2-cyano-N-methylacetamide (CID 24707572) is N-benzyl-2-cyano-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-cyano-N-methylacetamide?
The canonical SMILES for N-benzyl-2-cyano-N-methylacetamide is CN(Cc1ccccc1)C(=O)CC#N.
What is the InChIKey of N-benzyl-2-cyano-N-methylacetamide?
The InChIKey is ZFCMAYPKJGUUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-13(11(14)7-8-12)9-10-5-3-2-4-6-10/h2-6H,7,9H2,1H3.
What are the key properties of N-benzyl-2-cyano-N-methylacetamide?
N-benzyl-2-cyano-N-methylacetamide has a molecular weight of 188.23 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-cyano-N-methylacetamide is sourced from PubChem (CID 24707572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).