2-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide

C11H12N2O2 — CID 59578769

IUPAC2-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
SMILESN#CCC(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C11H12N2O2/c12-7-6-11(15)13-10(8-14)9-4-2-1-3-5-9/h1-5,10,14H,6,8H2,(H,13,15)/t10-/m0/s1
InChIKeyAAHABMQNEQBECP-JTQLQIEISA-N
MW204.23 g/mol
LogP0.75
Rot. Bonds4

About 2-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide

2-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide (PubChem CID 59578769) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
PubChem CID59578769
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
SMILESN#CCC(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C11H12N2O2/c12-7-6-11(15)13-10(8-14)9-4-2-1-3-5-9/h1-5,10,14H,6,8H2,(H,13,15)/t10-/m0/s1
InChIKeyAAHABMQNEQBECP-JTQLQIEISA-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

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Related Compounds

2-(cyanomethylsulfanyl)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63182591
methyl (3S)-3-[(2-cyanoacetyl)amino]-3-phenylpropanoate
CID 96917611
2-cyano-N-[(1R)-1-phenylethyl]acetamide
CID 2164179
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
4-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863809
N-(2-hydroxy-1-phenylethyl)butanamide
CID 63184192
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide
CID 103944553
N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenoxyacetamide
CID 39370051
2-(4-hydroxyphenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103945145
4-hydroxy-N-(2-hydroxy-1-phenylethyl)pentanamide
CID 79203204

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
The IUPAC name of 2-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide (CID 59578769) is 2-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
The canonical SMILES for 2-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide is N#CCC(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of 2-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
The InChIKey is AAHABMQNEQBECP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12N2O2/c12-7-6-11(15)13-10(8-14)9-4-2-1-3-5-9/h1-5,10,14H,6,8H2,(H,13,15)/t10-/m0/s1.
What are the key properties of 2-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide?
2-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide 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 2-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide is sourced from PubChem (CID 59578769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).