2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide

C12H14N2O2 — CID 107857146

IUPAC2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide
SMILESCC(O)CNC(=O)C(C#N)c1ccccc1
InChIInChI=1S/C12H14N2O2/c1-9(15)8-14-12(16)11(7-13)10-5-3-2-4-6-10/h2-6,9,11,15H,8H2,1H3,(H,14,16)
InChIKeyLSAFULBFKVZRPC-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.79
Rot. Bonds4

About 2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide

2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide (PubChem CID 107857146) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide
PubChem CID107857146
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide
SMILESCC(O)CNC(=O)C(C#N)c1ccccc1
InChIInChI=1S/C12H14N2O2/c1-9(15)8-14-12(16)11(7-13)10-5-3-2-4-6-10/h2-6,9,11,15H,8H2,1H3,(H,14,16)
InChIKeyLSAFULBFKVZRPC-UHFFFAOYSA-N
XLogP0.79
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(3-hydroxybutyl)-2-phenylacetamide
CID 64912505
2-cyano-N-ethyl-2-phenylacetamide
CID 62877347
2-cyano-2-phenyl-N-(2-pyrrol-1-ylethyl)acetamide
CID 106391157
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 107857151
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 93083385
2-cyano-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 62878754
2-cyano-N-(3-hydroxy-4-methoxybutyl)-2-phenylacetamide
CID 106247860
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
(2R)-2-cyano-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 951669

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide?
The IUPAC name of 2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide (CID 107857146) is 2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide.
What is the SMILES notation for 2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide?
The canonical SMILES for 2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide is CC(O)CNC(=O)C(C#N)c1ccccc1.
What is the InChIKey of 2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide?
The InChIKey is LSAFULBFKVZRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9(15)8-14-12(16)11(7-13)10-5-3-2-4-6-10/h2-6,9,11,15H,8H2,1H3,(H,14,16).
What are the key properties of 2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide?
2-cyano-N-(2-hydroxypropyl)-2-phenylacetamide has a molecular weight of 218.26 g/mol, XLogP of 0.79, 4 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)-2-phenylacetamide is sourced from PubChem (CID 107857146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).