2-cyano-N-[4-(cyanomethyl)phenyl]-2-ethylbutanamide

C15H17N3O — CID 55057277

IUPAC2-cyano-N-[4-(cyanomethyl)phenyl]-2-ethylbutanamide
SMILESCCC(C#N)(CC)C(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C15H17N3O/c1-3-15(4-2,11-17)14(19)18-13-7-5-12(6-8-13)9-10-16/h5-8H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyYOAWHRGSSSYIGN-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.02
Rot. Bonds5

About 2-cyano-N-[4-(cyanomethyl)phenyl]-2-ethylbutanamide

2-cyano-N-[4-(cyanomethyl)phenyl]-2-ethylbutanamide (PubChem CID 55057277) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-cyano-N-[4-(cyanomethyl)phenyl]-2-ethylbutanamide.

Molecular Properties

Compound Name2-cyano-N-[4-(cyanomethyl)phenyl]-2-ethylbutanamide
PubChem CID55057277
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-cyano-N-[4-(cyanomethyl)phenyl]-2-ethylbutanamide
SMILESCCC(C#N)(CC)C(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C15H17N3O/c1-3-15(4-2,11-17)14(19)18-13-7-5-12(6-8-13)9-10-16/h5-8H,3-4,9H2,1-2H3,(H,18,19)
InChIKeyYOAWHRGSSSYIGN-UHFFFAOYSA-N
XLogP3.02
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyano-N-[4-(cyanomethyl)phenyl]-2-ethylbutanamide 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-[4-(cyanomethyl)phenyl]-2-propylpentanamide
CID 62303424
N-[4-(cyanomethyl)phenyl]-2-(ethylamino)-2-methylpropanamide
CID 62832358
2-cyano-2-ethyl-N-thiophen-3-ylbutanamide
CID 66353300
2-cyano-2-ethyl-N-(3-iodo-4-methylphenyl)butanamide
CID 114257386
N-[4-(cyanomethyl)phenyl]-3,3-dimethylbutanamide
CID 55021427
N-[4-(cyanomethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 14253808
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
2-(4-acetamidophenyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 26375554
(2S)-2-amino-N-[4-(cyanomethyl)phenyl]butanamide
CID 79024375
N-[4-(cyanomethyl)phenyl]-3,3,3-trifluoropropanamide
CID 60731315
2-cyano-2-ethyl-N-(1,2-oxazol-4-yl)butanamide
CID 62903126
(2S)-N-[4-(cyanomethyl)phenyl]-2-methylpentanamide
CID 94187740

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(cyanomethyl)phenyl]-2-ethylbutanamide?
The IUPAC name of 2-cyano-N-[4-(cyanomethyl)phenyl]-2-ethylbutanamide (CID 55057277) is 2-cyano-N-[4-(cyanomethyl)phenyl]-2-ethylbutanamide.
What is the SMILES notation for 2-cyano-N-[4-(cyanomethyl)phenyl]-2-ethylbutanamide?
The canonical SMILES for 2-cyano-N-[4-(cyanomethyl)phenyl]-2-ethylbutanamide is CCC(C#N)(CC)C(=O)Nc1ccc(CC#N)cc1.
What is the InChIKey of 2-cyano-N-[4-(cyanomethyl)phenyl]-2-ethylbutanamide?
The InChIKey is YOAWHRGSSSYIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-3-15(4-2,11-17)14(19)18-13-7-5-12(6-8-13)9-10-16/h5-8H,3-4,9H2,1-2H3,(H,18,19).
What are the key properties of 2-cyano-N-[4-(cyanomethyl)phenyl]-2-ethylbutanamide?
2-cyano-N-[4-(cyanomethyl)phenyl]-2-ethylbutanamide has a molecular weight of 255.32 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(cyanomethyl)phenyl]-2-ethylbutanamide is sourced from PubChem (CID 55057277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).