N-benzyl-2-(4-cyano-N-methylanilino)acetamide

C17H17N3O — CID 62982094

IUPACN-benzyl-2-(4-cyano-N-methylanilino)acetamide
SMILESCN(CC(=O)NCc1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C17H17N3O/c1-20(16-9-7-14(11-18)8-10-16)13-17(21)19-12-15-5-3-2-4-6-15/h2-10H,12-13H2,1H3,(H,19,21)
InChIKeyOKQJGCPQEQSSKZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.31
Rot. Bonds5

About N-benzyl-2-(4-cyano-N-methylanilino)acetamide

N-benzyl-2-(4-cyano-N-methylanilino)acetamide (PubChem CID 62982094) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-benzyl-2-(4-cyano-N-methylanilino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-cyano-N-methylanilino)acetamide
PubChem CID62982094
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-benzyl-2-(4-cyano-N-methylanilino)acetamide
SMILESCN(CC(=O)NCc1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C17H17N3O/c1-20(16-9-7-14(11-18)8-10-16)13-17(21)19-12-15-5-3-2-4-6-15/h2-10H,12-13H2,1H3,(H,19,21)
InChIKeyOKQJGCPQEQSSKZ-UHFFFAOYSA-N
XLogP2.31
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-(4-cyano-N-methylanilino)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

N-benzyl-2-(4-cyano-N-methylsulfonylanilino)acetamide
CID 113157361
N-tert-butyl-2-(4-cyano-N-methylanilino)acetamide
CID 60724445
4-[2-(N-methylanilino)acetyl]benzonitrile
CID 43227448
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
N-[(4-cyanophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 110473207
N-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide
CID 134035388
2-(4-cyanophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 17427764
N-(4-cyanophenyl)-2-(4-fluoro-N-methylanilino)acetamide
CID 60977237
2-(4-cyano-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 113157363
2-amino-N-[(4-cyanophenyl)methyl]acetamide
CID 60919000
N-benzyl-2-(diethylamino)acetamide
CID 969777
2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-cyano-N-methylanilino)acetamide?
The IUPAC name of N-benzyl-2-(4-cyano-N-methylanilino)acetamide (CID 62982094) is N-benzyl-2-(4-cyano-N-methylanilino)acetamide.
What is the SMILES notation for N-benzyl-2-(4-cyano-N-methylanilino)acetamide?
The canonical SMILES for N-benzyl-2-(4-cyano-N-methylanilino)acetamide is CN(CC(=O)NCc1ccccc1)c1ccc(C#N)cc1.
What is the InChIKey of N-benzyl-2-(4-cyano-N-methylanilino)acetamide?
The InChIKey is OKQJGCPQEQSSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-20(16-9-7-14(11-18)8-10-16)13-17(21)19-12-15-5-3-2-4-6-15/h2-10H,12-13H2,1H3,(H,19,21).
What are the key properties of N-benzyl-2-(4-cyano-N-methylanilino)acetamide?
N-benzyl-2-(4-cyano-N-methylanilino)acetamide has a molecular weight of 279.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-cyano-N-methylanilino)acetamide is sourced from PubChem (CID 62982094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).