N-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide

C15H25NO — CID 4621429

IUPACN-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCCCC1
InChIInChI=1S/C15H25NO/c17-15(14-9-5-2-6-10-14)16-12-11-13-7-3-1-4-8-13/h7,14H,1-6,8-12H2,(H,16,17)
InChIKeyTVUVUIMVGIRQHS-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.57
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide

N-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide (PubChem CID 4621429) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide
PubChem CID4621429
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCC1=CCCCC1)C1CCCCC1
InChIInChI=1S/C15H25NO/c17-15(14-9-5-2-6-10-14)16-12-11-13-7-3-1-4-8-13/h7,14H,1-6,8-12H2,(H,16,17)
InChIKeyTVUVUIMVGIRQHS-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.57
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
(9Z,12Z)-N-(3-methylbutyl)octadeca-9,12-dienamide
CID 76323953
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-(1-cyclohexenyl)-1-(4-tetrahydro-1H-pyrrol-3-ylpiperidino)-1-ethanone
CID 110197850
N-[2-(1-cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
N~1~-[2-(1-Cyclohexenyl)ethyl]-2-[1-(cyclohexylcarbonyl)-4-piperidyl]acetamide
CID 46295211
Hexahydroisoquinolin-3(2h)-one
CID 90806750
N-cyclohexyl-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 39969360
N-[2-(1-but-2-yn-1-yl-1,2,5,6-tetrahydropyridin-3-yl)ethyl]cyclohexanecarboxamide
CID 50975791
(4S)-4-(4-fluorocyclohexa-1,3-dien-1-yl)piperidin-2-one
CID 89358835

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide (CID 4621429) is N-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide is O=C(NCCC1=CCCCC1)C1CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is TVUVUIMVGIRQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c17-15(14-9-5-2-6-10-14)16-12-11-13-7-3-1-4-8-13/h7,14H,1-6,8-12H2,(H,16,17).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide?
N-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 235.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 4621429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).