N-(2-cyanoethyl)-2-hydroxy-2-phenylacetamide

C11H12N2O2 — CID 107168333

IUPACN-(2-cyanoethyl)-2-hydroxy-2-phenylacetamide
SMILESN#CCCNC(=O)C(O)c1ccccc1
InChIInChI=1S/C11H12N2O2/c12-7-4-8-13-11(15)10(14)9-5-2-1-3-6-9/h1-3,5-6,10,14H,4,8H2,(H,13,15)
InChIKeyXSSSIFYSGWKXJQ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.75
Rot. Bonds4

About N-(2-cyanoethyl)-2-hydroxy-2-phenylacetamide

N-(2-cyanoethyl)-2-hydroxy-2-phenylacetamide (PubChem CID 107168333) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-hydroxy-2-phenylacetamide
PubChem CID107168333
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC NameN-(2-cyanoethyl)-2-hydroxy-2-phenylacetamide
SMILESN#CCCNC(=O)C(O)c1ccccc1
InChIInChI=1S/C11H12N2O2/c12-7-4-8-13-11(15)10(14)9-5-2-1-3-6-9/h1-3,5-6,10,14H,4,8H2,(H,13,15)
InChIKeyXSSSIFYSGWKXJQ-UHFFFAOYSA-N
XLogP0.75
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyanomethyl)-2-hydroxy-2-phenylacetamide
CID 103687126
N-(2-cyano-2-methylpropyl)-2-hydroxy-2-phenylacetamide
CID 113372748
N-butyl-2-hydroxy-2-phenylacetamide
CID 15353717
(2S)-2-hydroxy-2-phenyl-N-(2-phenylethyl)acetamide
CID 26793852
(2S)-2-hydroxy-4-[(2-hydroxy-2-phenylacetyl)amino]butanoic acid
CID 107834936
4-[(2-hydroxy-2-phenylacetyl)amino]-2-methylbutanoic acid
CID 80539222
N-[(3-cyanophenyl)methyl]-2-hydroxy-2-phenylacetamide
CID 103716734
(2R)-2-hydroxy-N-[(2S)-2-hydroxy-2-phenylethyl]-2-phenylacetamide
CID 102071059
(2S)-2-hydroxy-3-[(2-hydroxy-2-phenylacetyl)amino]propanoic acid
CID 107833828
[2-(2-cyanoethylamino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7265779
2-hydroxy-2-phenyl-N-(2-phenylmethoxyethyl)acetamide
CID 111578044
2-amino-N-(cyanomethyl)-2-phenylacetamide
CID 61253687

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-hydroxy-2-phenylacetamide (CID 107168333) is N-(2-cyanoethyl)-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-hydroxy-2-phenylacetamide is N#CCCNC(=O)C(O)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-2-hydroxy-2-phenylacetamide?
The InChIKey is XSSSIFYSGWKXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-7-4-8-13-11(15)10(14)9-5-2-1-3-6-9/h1-3,5-6,10,14H,4,8H2,(H,13,15).
What are the key properties of N-(2-cyanoethyl)-2-hydroxy-2-phenylacetamide?
N-(2-cyanoethyl)-2-hydroxy-2-phenylacetamide has a molecular weight of 204.23 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 107168333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).