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

C12H21NO2 — CID 60655755

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C12H21NO2/c1-2-15-10-12(14)13-9-8-11-6-4-3-5-7-11/h6H,2-5,7-10H2,1H3,(H,13,14)
InChIKeyCLBMHLPBAFESAI-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.03
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxyacetamide (PubChem CID 60655755) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-ethoxyacetamide
PubChem CID60655755
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C12H21NO2/c1-2-15-10-12(14)13-9-8-11-6-4-3-5-7-11/h6H,2-5,7-10H2,1H3,(H,13,14)
InChIKeyCLBMHLPBAFESAI-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxyacetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxyacetamide (CID 60655755) is N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxyacetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxyacetamide is CCOCC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxyacetamide?
The InChIKey is CLBMHLPBAFESAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-15-10-12(14)13-9-8-11-6-4-3-5-7-11/h6H,2-5,7-10H2,1H3,(H,13,14).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxyacetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxyacetamide has a molecular weight of 211.30 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-ethoxyacetamide is sourced from PubChem (CID 60655755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).