N-[2-(cyclohex-1-en-1-yl)ethyl]-2-cyclohexylacetamide

C16H27NO — CID 848109

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
SMILESC1CCC(CC1)CC(=O)NCCC2=CCCCC2
InChIInChI=1S/C16H27NO/c18-16(13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h7,15H,1-6,8-13H2,(H,17,18)
InChIKeyCONKVPMCWGAWLJ-UHFFFAOYSA-N
MW249.39 g/mol
LogP4.30
Rot. Bonds5

About N-[2-(cyclohex-1-en-1-yl)ethyl]-2-cyclohexylacetamide

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-cyclohexylacetamide (PubChem CID 848109) has the molecular formula C16H27NO and a molecular weight of 249.39 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[2-(cyclohex-1-en-1-yl)ethyl]-2-cyclohexylacetamide
PubChem CID848109
Molecular FormulaC16H27NO
Molecular Weight249.39 g/mol
Exact Mass249.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
SMILESC1CCC(CC1)CC(=O)NCCC2=CCCCC2
InChIInChI=1S/C16H27NO/c18-16(13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h7,15H,1-6,8-13H2,(H,17,18)
InChIKeyCONKVPMCWGAWLJ-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity289

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(9Z,12Z)-N-(1-cyclohexylethyl)octadeca-9,12-dienamide
CID 162644302
(Z)-N-(2-methylpropyl)octadec-9-enamide
CID 73897824
(9Z,12Z)-N-(3-methylbutyl)octadeca-9,12-dienamide
CID 76323953
N-[(3S)-3,7-dimethyloct-6-enyl]adamantane-1-carboxamide
CID 162652941
1-Cyclohexene-1-acetamide, 4-cyclohexyl-N-ethyl-alpha-methyl-
CID 206764
5,9-dimethyl-N-octyldec-8-enamide
CID 44561012
(Z)-N-(4-methylcyclohexyl)octadec-9-enamide
CID 168296804
2-[(1S,4S,5S)-4-(cyanomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-cyclohexylacetamide
CID 38029904
2-(1-cyclohexenyl)-1-(4-tetrahydro-1H-pyrrol-3-ylpiperidino)-1-ethanone
CID 110197850
N-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide
CID 4621429
N~1~-[2-(1-Cyclohexenyl)ethyl]-2-[1-(cyclohexylcarbonyl)-4-piperidyl]acetamide
CID 46295211
Hexahydroisoquinolin-3(2h)-one
CID 90806750

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohex-1-en-1-yl)ethyl]-2-cyclohexylacetamide?
The IUPAC name of N-[2-(cyclohex-1-en-1-yl)ethyl]-2-cyclohexylacetamide (CID 848109) is N-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[2-(cyclohex-1-en-1-yl)ethyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[2-(cyclohex-1-en-1-yl)ethyl]-2-cyclohexylacetamide is C1CCC(CC1)CC(=O)NCCC2=CCCCC2.
What is the InChIKey of N-[2-(cyclohex-1-en-1-yl)ethyl]-2-cyclohexylacetamide?
The InChIKey is CONKVPMCWGAWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c18-16(13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h7,15H,1-6,8-13H2,(H,17,18).
What are the key properties of N-[2-(cyclohex-1-en-1-yl)ethyl]-2-cyclohexylacetamide?
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-cyclohexylacetamide has a molecular weight of 249.39 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohex-1-en-1-yl)ethyl]-2-cyclohexylacetamide is sourced from PubChem (CID 848109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).