2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide

C13H16N2O2 — CID 64912505

IUPAC2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide
SMILESCC(O)CCNC(=O)C(C#N)c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-10(16)7-8-15-13(17)12(9-14)11-5-3-2-4-6-11/h2-6,10,12,16H,7-8H2,1H3,(H,15,17)
InChIKeyYHBBDXKWECYSBJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.18
Rot. Bonds5

About 2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide

2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide (PubChem CID 64912505) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide
PubChem CID64912505
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide
SMILESCC(O)CCNC(=O)C(C#N)c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-10(16)7-8-15-13(17)12(9-14)11-5-3-2-4-6-11/h2-6,10,12,16H,7-8H2,1H3,(H,15,17)
InChIKeyYHBBDXKWECYSBJ-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide
CID 107857146
2-cyano-N-(3-hydroxy-4-methoxybutyl)-2-phenylacetamide
CID 106247860
2-cyano-N-ethyl-2-phenylacetamide
CID 62877347
2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide
CID 106391157
2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide
CID 106337642
2-cyano-2-phenyl-N-(4,4,4-trifluorobutyl)acetamide
CID 115519640
N-[2-(4-chlorophenyl)ethyl]-2-cyano-2-phenylacetamide
CID 62878231
2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 62878754
N-[3-[benzyl(methyl)amino]propyl]-2-cyano-2-phenylacetamide
CID 113230171
(2R)-2-cyano-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 951669
(2S)-4-methyl-3-oxo-2-phenylpentanenitrile
CID 92981009
2-(4-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-2-phenylacetamide
CID 111433648

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide?
The IUPAC name of 2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide (CID 64912505) is 2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide is CC(O)CCNC(=O)C(C#N)c1ccccc1.
What is the InChIKey of 2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide?
The InChIKey is YHBBDXKWECYSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(16)7-8-15-13(17)12(9-14)11-5-3-2-4-6-11/h2-6,10,12,16H,7-8H2,1H3,(H,15,17).
What are the key properties of 2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide?
2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide has a molecular weight of 232.28 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide is sourced from PubChem (CID 64912505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).