2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide

C13H16N2O2 — CID 107857151

IUPAC2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide
SMILESCC(O)CNC(=O)C(C#N)Cc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-10(16)9-15-13(17)12(8-14)7-11-5-3-2-4-6-11/h2-6,10,12,16H,7,9H2,1H3,(H,15,17)
InChIKeyNJJMPABRMCQAEC-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.87
Rot. Bonds5

About 2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide

2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide (PubChem CID 107857151) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide
PubChem CID107857151
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide
SMILESCC(O)CNC(=O)C(C#N)Cc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-10(16)9-15-13(17)12(8-14)7-11-5-3-2-4-6-11/h2-6,10,12,16H,7,9H2,1H3,(H,15,17)
InChIKeyNJJMPABRMCQAEC-UHFFFAOYSA-N
XLogP0.87
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide
CID 107857146
2-cyano-N-(2-methoxy-2-methylpropyl)-3-phenylpropanamide
CID 104761601
2-benzyl-3-oxobutanenitrile;hydrate
CID 22323303
2-cyano-N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropanamide
CID 82873118
(2S)-2-cyano-3-phenylpropanoate
CID 6928308
2-cyano-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-phenylpropanamide
CID 106371943
2-cyano-N-(2-phenylethyl)butanamide
CID 55207760
2-cyano-3-(4-propan-2-ylphenyl)-N-propylpropanamide
CID 112510646
2-cyano-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide
CID 62843528
2-cyano-3-(3-methylphenyl)-N-phenylpropanamide
CID 82122389
2-cyano-N-(3-methylcyclopentyl)-3-phenylpropanamide
CID 114546508

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide?
The IUPAC name of 2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide (CID 107857151) is 2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide.
What is the SMILES notation for 2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide?
The canonical SMILES for 2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide is CC(O)CNC(=O)C(C#N)Cc1ccccc1.
What is the InChIKey of 2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide?
The InChIKey is NJJMPABRMCQAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(16)9-15-13(17)12(8-14)7-11-5-3-2-4-6-11/h2-6,10,12,16H,7,9H2,1H3,(H,15,17).
What are the key properties of 2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide?
2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide has a molecular weight of 232.28 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide is sourced from PubChem (CID 107857151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).