2-cyano-N-[(3-cyanophenyl)methyl]-2-propylpentanamide

C17H21N3O — CID 62312629

IUPAC2-cyano-N-[(3-cyanophenyl)methyl]-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCc1cccc(C#N)c1
InChIInChI=1S/C17H21N3O/c1-3-8-17(13-19,9-4-2)16(21)20-12-15-7-5-6-14(10-15)11-18/h5-7,10H,3-4,8-9,12H2,1-2H3,(H,20,21)
InChIKeyFTDUWWDBAHTEHW-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.28
Rot. Bonds7

About 2-cyano-N-[(3-cyanophenyl)methyl]-2-propylpentanamide

2-cyano-N-[(3-cyanophenyl)methyl]-2-propylpentanamide (PubChem CID 62312629) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-cyano-N-[(3-cyanophenyl)methyl]-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-[(3-cyanophenyl)methyl]-2-propylpentanamide
PubChem CID62312629
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-cyano-N-[(3-cyanophenyl)methyl]-2-propylpentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCc1cccc(C#N)c1
InChIInChI=1S/C17H21N3O/c1-3-8-17(13-19,9-4-2)16(21)20-12-15-7-5-6-14(10-15)11-18/h5-7,10H,3-4,8-9,12H2,1-2H3,(H,20,21)
InChIKeyFTDUWWDBAHTEHW-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[(3-cyanophenyl)methyl]-2-methylpropanamide
CID 61059964
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
N-[(3-cyanophenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 62847791
2-cyano-N-[(2-methoxy-4-pyridinyl)methyl]-2-propylpentanamide
CID 62991409
1-[(3-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47186523
1-butan-2-yl-3-[(3-cyanophenyl)methyl]urea
CID 47216352
N-[(3-cyanophenyl)methyl]pentanamide;2,2,2-trifluoroacetic acid
CID 158626969
N-[(3-cyanophenyl)methyl]-2-sulfanylpropanamide
CID 107028199
2-amino-N-[(3-cyanophenyl)methyl]-3,3-dimethylbutanamide
CID 76887376
3-bromo-N-[(3-cyanophenyl)methyl]-5-methylbenzamide
CID 104851511
3-[(3-cyanophenyl)methyl]-1-ethyl-1-(3,3,3-trifluoropropyl)urea
CID 51100896
3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide
CID 61103321

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(3-cyanophenyl)methyl]-2-propylpentanamide?
The IUPAC name of 2-cyano-N-[(3-cyanophenyl)methyl]-2-propylpentanamide (CID 62312629) is 2-cyano-N-[(3-cyanophenyl)methyl]-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-[(3-cyanophenyl)methyl]-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-[(3-cyanophenyl)methyl]-2-propylpentanamide is CCCC(C#N)(CCC)C(=O)NCc1cccc(C#N)c1.
What is the InChIKey of 2-cyano-N-[(3-cyanophenyl)methyl]-2-propylpentanamide?
The InChIKey is FTDUWWDBAHTEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-8-17(13-19,9-4-2)16(21)20-12-15-7-5-6-14(10-15)11-18/h5-7,10H,3-4,8-9,12H2,1-2H3,(H,20,21).
What are the key properties of 2-cyano-N-[(3-cyanophenyl)methyl]-2-propylpentanamide?
2-cyano-N-[(3-cyanophenyl)methyl]-2-propylpentanamide has a molecular weight of 283.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(3-cyanophenyl)methyl]-2-propylpentanamide is sourced from PubChem (CID 62312629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).