N-(4-cyanophenyl)-2-phenylbutanamide

C17H16N2O — CID 4632444

IUPACN-(4-cyanophenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C17H16N2O/c1-2-16(14-6-4-3-5-7-14)17(20)19-15-10-8-13(12-18)9-11-15/h3-11,16H,2H2,1H3,(H,19,20)
InChIKeyLACVQCNLGZFCJS-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.69
Rot. Bonds4

About N-(4-cyanophenyl)-2-phenylbutanamide

N-(4-cyanophenyl)-2-phenylbutanamide (PubChem CID 4632444) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-phenylbutanamide
PubChem CID4632444
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC NameN-(4-cyanophenyl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(C#N)cc1)c1ccccc1
InChIInChI=1S/C17H16N2O/c1-2-16(14-6-4-3-5-7-14)17(20)19-15-10-8-13(12-18)9-11-15/h3-11,16H,2H2,1H3,(H,19,20)
InChIKeyLACVQCNLGZFCJS-UHFFFAOYSA-N
XLogP3.69
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
[2-(4-cyanoanilino)-2-oxoethyl] 2-phenylbutanoate
CID 4649924
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
2-phenyl-N-pyridin-1-ium-4-ylbutanamide
CID 3621180
2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate
CID 6955755
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide
CID 6465200
3-[4-(2-phenylbutanoylamino)phenyl]propanoic acid
CID 119252366
N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide
CID 121063165
2-[2-(4-cyanoanilino)-2-oxo-1-phenylethyl]sulfanylacetic acid
CID 3674520

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-phenylbutanamide?
The IUPAC name of N-(4-cyanophenyl)-2-phenylbutanamide (CID 4632444) is N-(4-cyanophenyl)-2-phenylbutanamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-phenylbutanamide?
The canonical SMILES for N-(4-cyanophenyl)-2-phenylbutanamide is CCC(C(=O)Nc1ccc(C#N)cc1)c1ccccc1.
What is the InChIKey of N-(4-cyanophenyl)-2-phenylbutanamide?
The InChIKey is LACVQCNLGZFCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-2-16(14-6-4-3-5-7-14)17(20)19-15-10-8-13(12-18)9-11-15/h3-11,16H,2H2,1H3,(H,19,20).
What are the key properties of N-(4-cyanophenyl)-2-phenylbutanamide?
N-(4-cyanophenyl)-2-phenylbutanamide has a molecular weight of 264.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-phenylbutanamide is sourced from PubChem (CID 4632444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).