2-cyano-N-(2-phenylethyl)butanamide

C13H16N2O — CID 55207760

IUPAC2-cyano-N-(2-phenylethyl)butanamide
SMILESCCC(C#N)C(=O)NCCc1ccccc1
InChIInChI=1S/C13H16N2O/c1-2-12(10-14)13(16)15-9-8-11-6-4-3-5-7-11/h3-7,12H,2,8-9H2,1H3,(H,15,16)
InChIKeyAYQKCLFKKCZNAG-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.90
Rot. Bonds5

About 2-cyano-N-(2-phenylethyl)butanamide

2-cyano-N-(2-phenylethyl)butanamide (PubChem CID 55207760) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-cyano-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name2-cyano-N-(2-phenylethyl)butanamide
PubChem CID55207760
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-cyano-N-(2-phenylethyl)butanamide
SMILESCCC(C#N)C(=O)NCCc1ccccc1
InChIInChI=1S/C13H16N2O/c1-2-12(10-14)13(16)15-9-8-11-6-4-3-5-7-11/h3-7,12H,2,8-9H2,1H3,(H,15,16)
InChIKeyAYQKCLFKKCZNAG-UHFFFAOYSA-N
XLogP1.90
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromophenyl)ethyl]-2-cyanobutanamide
CID 115188383
2-cyano-N-[2-(3-methoxyphenyl)ethyl]butanamide
CID 114009269
(2S)-2-bromo-N-(2-phenylethyl)butanamide
CID 51659927
2-cyano-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]butanamide
CID 107861085
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
(2R)-2-cyano-N-[(1R)-1-phenylethyl]butanamide
CID 94010231
(2S)-2-amino-3-methyl-N-(2-phenylethyl)pentanamide;hydrochloride
CID 67640844
(2S)-2-hydroxy-2-phenyl-N-(2-phenylethyl)acetamide
CID 26793852
2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 107857151
N-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide
CID 62878231
2-cyano-N-[2-methyl-2-(2-methylphenyl)propyl]butanamide
CID 115188479
(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-phenylethyl)butanamide?
The IUPAC name of 2-cyano-N-(2-phenylethyl)butanamide (CID 55207760) is 2-cyano-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 2-cyano-N-(2-phenylethyl)butanamide?
The canonical SMILES for 2-cyano-N-(2-phenylethyl)butanamide is CCC(C#N)C(=O)NCCc1ccccc1.
What is the InChIKey of 2-cyano-N-(2-phenylethyl)butanamide?
The InChIKey is AYQKCLFKKCZNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-12(10-14)13(16)15-9-8-11-6-4-3-5-7-11/h3-7,12H,2,8-9H2,1H3,(H,15,16).
What are the key properties of 2-cyano-N-(2-phenylethyl)butanamide?
2-cyano-N-(2-phenylethyl)butanamide has a molecular weight of 216.28 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 55207760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).