N-(2-aminoethyl)-2-[(2E)-cyclooct-2-en-1-yl]oxyacetamide

C12H22N2O2 — CID 118368086

IUPACN-(2-aminoethyl)-2-[(2E)-cyclooct-2-en-1-yl]oxyacetamide
SMILESNCCNC(=O)COC1/C=C\CCCCC1
InChIInChI=1S/C12H22N2O2/c13-8-9-14-12(15)10-16-11-6-4-2-1-3-5-7-11/h4,6,11H,1-3,5,7-10,13H2,(H,14,15)/b6-4-
InChIKeyXUYNHVBIIQNOFJ-XQRVVYSFSA-N
MW226.32 g/mol
LogP0.97
Rot. Bonds5

About N-(2-aminoethyl)-2-[(2E)-cyclooct-2-en-1-yl]oxyacetamide

N-(2-aminoethyl)-2-[(2E)-cyclooct-2-en-1-yl]oxyacetamide (PubChem CID 118368086) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[(2E)-cyclooct-2-en-1-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[(2E)-cyclooct-2-en-1-yl]oxyacetamide
PubChem CID118368086
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(2-aminoethyl)-2-[(2E)-cyclooct-2-en-1-yl]oxyacetamide
SMILESNCCNC(=O)COC1/C=C\CCCCC1
InChIInChI=1S/C12H22N2O2/c13-8-9-14-12(15)10-16-11-6-4-2-1-3-5-7-11/h4,6,11H,1-3,5,7-10,13H2,(H,14,15)/b6-4-
InChIKeyXUYNHVBIIQNOFJ-XQRVVYSFSA-N
XLogP0.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-aminoethyl)-2-[(2E)-cyclooct-2-en-1-yl]oxyacetamide?
The IUPAC name of N-(2-aminoethyl)-2-[(2E)-cyclooct-2-en-1-yl]oxyacetamide (CID 118368086) is N-(2-aminoethyl)-2-[(2E)-cyclooct-2-en-1-yl]oxyacetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[(2E)-cyclooct-2-en-1-yl]oxyacetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[(2E)-cyclooct-2-en-1-yl]oxyacetamide is NCCNC(=O)COC1/C=C\CCCCC1.
What is the InChIKey of N-(2-aminoethyl)-2-[(2E)-cyclooct-2-en-1-yl]oxyacetamide?
The InChIKey is XUYNHVBIIQNOFJ-XQRVVYSFSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-8-9-14-12(15)10-16-11-6-4-2-1-3-5-7-11/h4,6,11H,1-3,5,7-10,13H2,(H,14,15)/b6-4-.
What are the key properties of N-(2-aminoethyl)-2-[(2E)-cyclooct-2-en-1-yl]oxyacetamide?
N-(2-aminoethyl)-2-[(2E)-cyclooct-2-en-1-yl]oxyacetamide has a molecular weight of 226.32 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[(2E)-cyclooct-2-en-1-yl]oxyacetamide is sourced from PubChem (CID 118368086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).