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

C17H21N3O — CID 62303424

IUPAC2-cyano-N-[4-(cyanomethyl)phenyl]-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C17H21N3O/c1-3-10-17(13-19,11-4-2)16(21)20-15-7-5-14(6-8-15)9-12-18/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)
InChIKeyFTZLENXRBKNYRY-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.80
Rot. Bonds7

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

2-cyano-N-[4-(cyanomethyl)phenyl]-2-propylpentanamide (PubChem CID 62303424) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-cyano-N-[4-(cyanomethyl)phenyl]-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-[4-(cyanomethyl)phenyl]-2-propylpentanamide
PubChem CID62303424
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-cyano-N-[4-(cyanomethyl)phenyl]-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C17H21N3O/c1-3-10-17(13-19,11-4-2)16(21)20-15-7-5-14(6-8-15)9-12-18/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)
InChIKeyFTZLENXRBKNYRY-UHFFFAOYSA-N
XLogP3.80
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[4-(cyanomethyl)phenyl]-2-ethylbutanamide
CID 55057277
N-[4-(cyanomethyl)phenyl]-2-(ethylamino)-2-methylpropanamide
CID 62832358
2-[[4-(cyanomethyl)phenyl]carbamoylamino]-2-methylpentanoic acid
CID 62301210
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
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
(2S)-N-[4-(cyanomethyl)phenyl]-2-methylpentanamide
CID 94187740
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-[4-(cyanomethyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168610798
N-[4-(cyanomethyl)phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide
CID 17200572

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(cyanomethyl)phenyl]-2-propylpentanamide?
The IUPAC name of 2-cyano-N-[4-(cyanomethyl)phenyl]-2-propylpentanamide (CID 62303424) is 2-cyano-N-[4-(cyanomethyl)phenyl]-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-[4-(cyanomethyl)phenyl]-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-[4-(cyanomethyl)phenyl]-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)Nc1ccc(CC#N)cc1.
What is the InChIKey of 2-cyano-N-[4-(cyanomethyl)phenyl]-2-propylpentanamide?
The InChIKey is FTZLENXRBKNYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-10-17(13-19,11-4-2)16(21)20-15-7-5-14(6-8-15)9-12-18/h5-8H,3-4,9-11H2,1-2H3,(H,20,21).
What are the key properties of 2-cyano-N-[4-(cyanomethyl)phenyl]-2-propylpentanamide?
2-cyano-N-[4-(cyanomethyl)phenyl]-2-propylpentanamide has a molecular weight of 283.38 g/mol, XLogP of 3.80, 7 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-propylpentanamide is sourced from PubChem (CID 62303424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).