N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-cyanophenoxy)acetamide

C18H22N2O2 — CID 24698326

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-cyanophenoxy)acetamide
SMILESCC(NC(=O)COc1ccccc1C#N)C1CC2CCC1C2
InChIInChI=1S/C18H22N2O2/c1-12(16-9-13-6-7-14(16)8-13)20-18(21)11-22-17-5-3-2-4-15(17)10-19/h2-5,12-14,16H,6-9,11H2,1H3,(H,20,21)
InChIKeyYBBNNXQLVWTFLB-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.88
Rot. Bonds5

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-cyanophenoxy)acetamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-cyanophenoxy)acetamide (PubChem CID 24698326) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-cyanophenoxy)acetamide
PubChem CID24698326
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-cyanophenoxy)acetamide
SMILESCC(NC(=O)COc1ccccc1C#N)C1CC2CCC1C2
InChIInChI=1S/C18H22N2O2/c1-12(16-9-13-6-7-14(16)8-13)20-18(21)11-22-17-5-3-2-4-15(17)10-19/h2-5,12-14,16H,6-9,11H2,1H3,(H,20,21)
InChIKeyYBBNNXQLVWTFLB-UHFFFAOYSA-N
XLogP2.88
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-chlorophenoxy)acetamide
CID 129376161
2-[2-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]benzamide
CID 98688995
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide
CID 2932687
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-chloro-4-cyanophenoxy)acetamide
CID 98750854
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N'-[2-(2-cyanophenoxy)acetyl]acetohydrazide
CID 11923494
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 98408205
N-[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 897091
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 98305688
2-(2-cyanophenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 2706739
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110496752
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-cyanoacetamide
CID 98150839
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-bromo-2-fluorophenoxy)acetamide
CID 42970246

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-cyanophenoxy)acetamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-cyanophenoxy)acetamide (CID 24698326) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-cyanophenoxy)acetamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-cyanophenoxy)acetamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-cyanophenoxy)acetamide is CC(NC(=O)COc1ccccc1C#N)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-cyanophenoxy)acetamide?
The InChIKey is YBBNNXQLVWTFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12(16-9-13-6-7-14(16)8-13)20-18(21)11-22-17-5-3-2-4-15(17)10-19/h2-5,12-14,16H,6-9,11H2,1H3,(H,20,21).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-cyanophenoxy)acetamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-cyanophenoxy)acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(2-cyanophenoxy)acetamide is sourced from PubChem (CID 24698326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).