2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide

C19H19N3O2 — CID 113180655

IUPAC2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide
SMILESCC(=O)N(CC(=O)N(C)Cc1ccccc1)c1ccccc1C#N
InChIInChI=1S/C19H19N3O2/c1-15(23)22(18-11-7-6-10-17(18)12-20)14-19(24)21(2)13-16-8-4-3-5-9-16/h3-11H,13-14H2,1-2H3
InChIKeyFHKLZWSALNHPEL-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.57
Rot. Bonds5

About 2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide

2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide (PubChem CID 113180655) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide
PubChem CID113180655
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide
SMILESCC(=O)N(CC(=O)N(C)Cc1ccccc1)c1ccccc1C#N
InChIInChI=1S/C19H19N3O2/c1-15(23)22(18-11-7-6-10-17(18)12-20)14-19(24)21(2)13-16-8-4-3-5-9-16/h3-11H,13-14H2,1-2H3
InChIKeyFHKLZWSALNHPEL-UHFFFAOYSA-N
XLogP2.57
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(N-acetyl-2-cyanoanilino)-N-benzyl-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

2-[N-acetyl-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide
CID 113174995
ethyl 2-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]benzoate
CID 113180526
2-(N-acetyl-2-cyanoanilino)-N-phenylacetamide
CID 113180714
N-benzyl-3-(2-cyano-N-methylsulfonylanilino)-N-methylpropanamide
CID 113146726
methyl 3-[acetyl-[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-4-chlorobenzoate
CID 113176531
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide
CID 113179355
2-(N-acetyl-2-cyanoanilino)-N-(2-chlorophenyl)acetamide
CID 113180740
2-(N-acetyl-2-cyanoanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113180657
2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide
CID 113181175
2-(N-acetyl-2-cyanoanilino)-N-(4-ethoxyphenyl)acetamide
CID 113180757
2-(dibenzylamino)benzonitrile
CID 83779732
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide?
The IUPAC name of 2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide (CID 113180655) is 2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide.
What is the SMILES notation for 2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide?
The canonical SMILES for 2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide is CC(=O)N(CC(=O)N(C)Cc1ccccc1)c1ccccc1C#N.
What is the InChIKey of 2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide?
The InChIKey is FHKLZWSALNHPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-15(23)22(18-11-7-6-10-17(18)12-20)14-19(24)21(2)13-16-8-4-3-5-9-16/h3-11H,13-14H2,1-2H3.
What are the key properties of 2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide?
2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide has a molecular weight of 321.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-2-cyanoanilino)-N-benzyl-N-methylacetamide is sourced from PubChem (CID 113180655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).