2-cyano-3-methyl-N-(2-phenylpropyl)butanamide

C15H20N2O — CID 113430213

IUPAC2-cyano-3-methyl-N-(2-phenylpropyl)butanamide
SMILESCC(CNC(=O)C(C#N)C(C)C)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-11(2)14(9-16)15(18)17-10-12(3)13-7-5-4-6-8-13/h4-8,11-12,14H,10H2,1-3H3,(H,17,18)
InChIKeyWKZVQRDAODSKIF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.70
Rot. Bonds5

About 2-cyano-3-methyl-N-(2-phenylpropyl)butanamide

2-cyano-3-methyl-N-(2-phenylpropyl)butanamide (PubChem CID 113430213) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-cyano-3-methyl-N-(2-phenylpropyl)butanamide.

Molecular Properties

Compound Name2-cyano-3-methyl-N-(2-phenylpropyl)butanamide
PubChem CID113430213
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-cyano-3-methyl-N-(2-phenylpropyl)butanamide
SMILESCC(CNC(=O)C(C#N)C(C)C)c1ccccc1
InChIInChI=1S/C15H20N2O/c1-11(2)14(9-16)15(18)17-10-12(3)13-7-5-4-6-8-13/h4-8,11-12,14H,10H2,1-3H3,(H,17,18)
InChIKeyWKZVQRDAODSKIF-UHFFFAOYSA-N
XLogP2.70
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyano-3-methyl-N-(2-phenylpropyl)butanamide 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-amino-N-(2-phenylpropyl)propanamide
CID 60703339
2-chloro-N-(2-phenylpropyl)propanamide
CID 4961581
(2R)-2-(dimethylamino)-2-phenyl-N-[(2R)-2-phenylpropyl]acetamide
CID 99645937
2-cyano-3-methyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142651
2-cyano-3-hydroxy-N-(2-phenylpropyl)but-2-enamide
CID 67839967
(2S)-2-amino-N-(2-phenylpropyl)butanamide;hydrochloride
CID 119270188
2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide
CID 107857146
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
[(2S)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] 2,2-diphenylacetate
CID 8578724
2-amino-3-methoxy-N-(2-phenylpropyl)propanamide
CID 81089279
(2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide
CID 61251907
bicyclo[2.2.0]hexa-1,3,5-triene;N-(2-phenylpropyl)acetamide
CID 175348879

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-methyl-N-(2-phenylpropyl)butanamide?
The IUPAC name of 2-cyano-3-methyl-N-(2-phenylpropyl)butanamide (CID 113430213) is 2-cyano-3-methyl-N-(2-phenylpropyl)butanamide.
What is the SMILES notation for 2-cyano-3-methyl-N-(2-phenylpropyl)butanamide?
The canonical SMILES for 2-cyano-3-methyl-N-(2-phenylpropyl)butanamide is CC(CNC(=O)C(C#N)C(C)C)c1ccccc1.
What is the InChIKey of 2-cyano-3-methyl-N-(2-phenylpropyl)butanamide?
The InChIKey is WKZVQRDAODSKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(2)14(9-16)15(18)17-10-12(3)13-7-5-4-6-8-13/h4-8,11-12,14H,10H2,1-3H3,(H,17,18).
What are the key properties of 2-cyano-3-methyl-N-(2-phenylpropyl)butanamide?
2-cyano-3-methyl-N-(2-phenylpropyl)butanamide has a molecular weight of 244.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-methyl-N-(2-phenylpropyl)butanamide is sourced from PubChem (CID 113430213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).