2-cyano-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide

C13H16N2O — CID 831599

IUPAC2-cyano-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc([C@@H](C)NC(=O)CC#N)cc1
InChIInChI=1S/C13H16N2O/c1-3-11-4-6-12(7-5-11)10(2)15-13(16)8-9-14/h4-7,10H,3,8H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyRRGIPXOTKKBHCS-SNVBAGLBSA-N
MW216.28 g/mol
LogP2.34
Rot. Bonds4

About 2-cyano-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide

2-cyano-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide (PubChem CID 831599) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-cyano-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
PubChem CID831599
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-cyano-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc([C@@H](C)NC(=O)CC#N)cc1
InChIInChI=1S/C13H16N2O/c1-3-11-4-6-12(7-5-11)10(2)15-13(16)8-9-14/h4-7,10H,3,8H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyRRGIPXOTKKBHCS-SNVBAGLBSA-N
XLogP2.34
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 8662901
2-cyano-N-[(1R)-1-phenylethyl]acetamide
CID 2164179
2-cyano-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 14883609
N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide
CID 54896208
3-[1-(4-ethylphenyl)ethylamino]-3-oxopropanoic acid
CID 55049684
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] benzoate
CID 7868318
2-(4-chlorophenyl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236026
[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate
CID 95181161
N-[1-(4-ethylphenyl)ethyl]-3,3-diphenylpropanamide
CID 17326867
2-cyano-N-[1-(furan-3-yl)ethyl]acetamide
CID 130683664
5-[1-(4-ethylphenyl)ethylamino]-5-oxopentanoic acid
CID 60662045

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?
The IUPAC name of 2-cyano-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide (CID 831599) is 2-cyano-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-cyano-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-cyano-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide is CCc1ccc([C@@H](C)NC(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?
The InChIKey is RRGIPXOTKKBHCS-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-11-4-6-12(7-5-11)10(2)15-13(16)8-9-14/h4-7,10H,3,8H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 2-cyano-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?
2-cyano-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide has a molecular weight of 216.28 g/mol, XLogP of 2.34, 4 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-(4-ethylphenyl)ethyl]acetamide is sourced from PubChem (CID 831599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).