N-(cyanomethyl)-2-hydroxy-2-phenylacetamide

C10H10N2O2 — CID 103687126

IUPACN-(cyanomethyl)-2-hydroxy-2-phenylacetamide
SMILESN#CCNC(=O)C(O)c1ccccc1
InChIInChI=1S/C10H10N2O2/c11-6-7-12-10(14)9(13)8-4-2-1-3-5-8/h1-5,9,13H,7H2,(H,12,14)
InChIKeyDSNKHDAFJXWGEC-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.36
Rot. Bonds3

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

N-(cyanomethyl)-2-hydroxy-2-phenylacetamide (PubChem CID 103687126) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is N-(cyanomethyl)-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-hydroxy-2-phenylacetamide
PubChem CID103687126
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC NameN-(cyanomethyl)-2-hydroxy-2-phenylacetamide
SMILESN#CCNC(=O)C(O)c1ccccc1
InChIInChI=1S/C10H10N2O2/c11-6-7-12-10(14)9(13)8-4-2-1-3-5-8/h1-5,9,13H,7H2,(H,12,14)
InChIKeyDSNKHDAFJXWGEC-UHFFFAOYSA-N
XLogP0.36
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-2-hydroxy-2-phenylacetamide
CID 107168333
N-(2-cyano-2-methylpropyl)-2-hydroxy-2-phenylacetamide
CID 113372748
2-amino-N-(cyanomethyl)-2-phenylacetamide
CID 61253687
N-butyl-2-hydroxy-2-phenylacetamide
CID 15353717
(2S)-2-hydroxy-2-phenyl-N-(2-phenylethyl)acetamide
CID 26793852
N-(cyanomethyl)-4-methyl-2-phenylpentanamide
CID 173145638
(2R)-2-hydroxy-N-[(2S)-2-hydroxy-2-phenylethyl]-2-phenylacetamide
CID 102071059
(2S)-2-hydroxy-4-[(2-hydroxy-2-phenylacetyl)amino]butanoic acid
CID 107834936
3-[(2-hydroxy-2-phenylacetyl)amino]-2-methoxypropanoic acid
CID 114144281
(2S)-2-hydroxy-3-[(2-hydroxy-2-phenylacetyl)amino]propanoic acid
CID 107833828
4-[(2-hydroxy-2-phenylacetyl)amino]-2-methylbutanoic acid
CID 80539222
N-[(3-cyanophenyl)methyl]-2-hydroxy-2-phenylacetamide
CID 103716734

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-(cyanomethyl)-2-hydroxy-2-phenylacetamide (CID 103687126) is N-(cyanomethyl)-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-(cyanomethyl)-2-hydroxy-2-phenylacetamide is N#CCNC(=O)C(O)c1ccccc1.
What is the InChIKey of N-(cyanomethyl)-2-hydroxy-2-phenylacetamide?
The InChIKey is DSNKHDAFJXWGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-6-7-12-10(14)9(13)8-4-2-1-3-5-8/h1-5,9,13H,7H2,(H,12,14).
What are the key properties of N-(cyanomethyl)-2-hydroxy-2-phenylacetamide?
N-(cyanomethyl)-2-hydroxy-2-phenylacetamide has a molecular weight of 190.20 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 103687126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).