2-(2-bicyclo[2.2.1]heptanyl)-N-(4-oxocyclohexyl)acetamide

C15H23NO2 — CID 43652801

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(4-oxocyclohexyl)acetamide
SMILESO=C1CCC(NC(=O)CC2CC3CCC2C3)CC1
InChIInChI=1S/C15H23NO2/c17-14-5-3-13(4-6-14)16-15(18)9-12-8-10-1-2-11(12)7-10/h10-13H,1-9H2,(H,16,18)
InChIKeyWXUUUNDCDHXKEW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.44
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-oxocyclohexyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(4-oxocyclohexyl)acetamide (PubChem CID 43652801) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-oxocyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(4-oxocyclohexyl)acetamide
PubChem CID43652801
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(4-oxocyclohexyl)acetamide
SMILESO=C1CCC(NC(=O)CC2CC3CCC2C3)CC1
InChIInChI=1S/C15H23NO2/c17-14-5-3-13(4-6-14)16-15(18)9-12-8-10-1-2-11(12)7-10/h10-13H,1-9H2,(H,16,18)
InChIKeyWXUUUNDCDHXKEW-UHFFFAOYSA-N
XLogP2.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-(4-bromocyclohexyl)acetamide
CID 114309119
3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031304
2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 18558210
2-(2-bicyclo[2.2.1]heptanyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119449433
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]acetamide
CID 98727736
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 63627160
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]acetamide
CID 21174278
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide
CID 129421859
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-cycloheptylacetamide
CID 63683149
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(chloromethyl)cyclopentyl]acetamide
CID 106365961
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-oxocyclohexyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-oxocyclohexyl)acetamide (CID 43652801) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-oxocyclohexyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-oxocyclohexyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-oxocyclohexyl)acetamide is O=C1CCC(NC(=O)CC2CC3CCC2C3)CC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-oxocyclohexyl)acetamide?
The InChIKey is WXUUUNDCDHXKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c17-14-5-3-13(4-6-14)16-15(18)9-12-8-10-1-2-11(12)7-10/h10-13H,1-9H2,(H,16,18).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-oxocyclohexyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-oxocyclohexyl)acetamide has a molecular weight of 249.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(4-oxocyclohexyl)acetamide is sourced from PubChem (CID 43652801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).