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

C11H12N2O — CID 2164179

IUPAC2-cyano-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CC#N)c1ccccc1
InChIInChI=1S/C11H12N2O/c1-9(13-11(14)7-8-12)10-5-3-2-4-6-10/h2-6,9H,7H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyRZFUCBLCIHIKHV-SECBINFHSA-N
MW188.23 g/mol
LogP1.78
Rot. Bonds3

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

2-cyano-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 2164179) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-cyano-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(1R)-1-phenylethyl]acetamide
PubChem CID2164179
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-cyano-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CC#N)c1ccccc1
InChIInChI=1S/C11H12N2O/c1-9(13-11(14)7-8-12)10-5-3-2-4-6-10/h2-6,9H,7H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyRZFUCBLCIHIKHV-SECBINFHSA-N
XLogP1.78
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 831599
2-cyano-N-(1-pyridin-3-ylethyl)acetamide
CID 43523765
2-cyano-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 14883609
2-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 59578769
2-cyano-N-[1-(furan-3-yl)ethyl]acetamide
CID 130683664
2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
2-(2-cyanoethylsulfonyl)-N-(1-phenylethyl)acetamide
CID 82181529
methyl (3S)-3-[(2-cyanoacetyl)amino]-3-phenylpropanoate
CID 96917611
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-cyano-N-[(1R)-1-phenylethyl]acetamide (CID 2164179) is 2-cyano-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-cyano-N-[(1R)-1-phenylethyl]acetamide is C[C@@H](NC(=O)CC#N)c1ccccc1.
What is the InChIKey of 2-cyano-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is RZFUCBLCIHIKHV-SECBINFHSA-N. The full InChI is InChI=1S/C11H12N2O/c1-9(13-11(14)7-8-12)10-5-3-2-4-6-10/h2-6,9H,7H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of 2-cyano-N-[(1R)-1-phenylethyl]acetamide?
2-cyano-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 188.23 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 2164179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).