N-[cyano(phenyl)methyl]-2-propylpentanamide

C16H22N2O — CID 82984597

IUPACN-[cyano(phenyl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC(C#N)c1ccccc1
InChIInChI=1S/C16H22N2O/c1-3-8-14(9-4-2)16(19)18-15(12-17)13-10-6-5-7-11-13/h5-7,10-11,14-15H,3-4,8-9H2,1-2H3,(H,18,19)
InChIKeyUQNFXSMIXOLZBM-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.58
Rot. Bonds7

About N-[cyano(phenyl)methyl]-2-propylpentanamide

N-[cyano(phenyl)methyl]-2-propylpentanamide (PubChem CID 82984597) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[cyano(phenyl)methyl]-2-propylpentanamide.

Molecular Properties

Compound NameN-[cyano(phenyl)methyl]-2-propylpentanamide
PubChem CID82984597
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[cyano(phenyl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NC(C#N)c1ccccc1
InChIInChI=1S/C16H22N2O/c1-3-8-14(9-4-2)16(19)18-15(12-17)13-10-6-5-7-11-13/h5-7,10-11,14-15H,3-4,8-9H2,1-2H3,(H,18,19)
InChIKeyUQNFXSMIXOLZBM-UHFFFAOYSA-N
XLogP3.58
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyano(phenyl)methyl]-3-methylurea
CID 86162991
[(R)-cyano(phenyl)methyl]carbamic acid
CID 90107575
N-(2-bromo-1-phenylethyl)-2-propylpentanamide
CID 82987102
ethyl N-[cyano(phenyl)methyl]carbamate
CID 60763548
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-propylpentanamide
CID 82984600
2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide
CID 107863374
N-[cyano(phenyl)methyl]-4-methylcyclohexane-1-carboxamide
CID 79005788
N-[cyano(phenyl)methyl]-4-methylbenzamide
CID 10399858
(2S)-3-phenyl-2-(2-propylpentanoylamino)propanoic acid
CID 82984626
N-[cyano(phenyl)methyl]-2-methylbenzamide
CID 60659356
N-(1-cyanobutyl)-2-phenylsulfanylacetamide
CID 78917962
N-[cyano(phenyl)methyl]cyclobutanecarboxamide
CID 60699487

Frequently Asked Questions

What is the IUPAC name of N-[cyano(phenyl)methyl]-2-propylpentanamide?
The IUPAC name of N-[cyano(phenyl)methyl]-2-propylpentanamide (CID 82984597) is N-[cyano(phenyl)methyl]-2-propylpentanamide.
What is the SMILES notation for N-[cyano(phenyl)methyl]-2-propylpentanamide?
The canonical SMILES for N-[cyano(phenyl)methyl]-2-propylpentanamide is CCCC(CCC)C(=O)NC(C#N)c1ccccc1.
What is the InChIKey of N-[cyano(phenyl)methyl]-2-propylpentanamide?
The InChIKey is UQNFXSMIXOLZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-8-14(9-4-2)16(19)18-15(12-17)13-10-6-5-7-11-13/h5-7,10-11,14-15H,3-4,8-9H2,1-2H3,(H,18,19).
What are the key properties of N-[cyano(phenyl)methyl]-2-propylpentanamide?
N-[cyano(phenyl)methyl]-2-propylpentanamide has a molecular weight of 258.37 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(phenyl)methyl]-2-propylpentanamide is sourced from PubChem (CID 82984597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).