N-(2-aminoethyl)-2-[(E)-oct-6-en-3-yl]oxyacetamide

C12H24N2O2 — CID 126728323

IUPACN-(2-aminoethyl)-2-[(E)-oct-6-en-3-yl]oxyacetamide
SMILESC/C=C/CCC(CC)OCC(=O)NCCN
InChIInChI=1S/C12H24N2O2/c1-3-5-6-7-11(4-2)16-10-12(15)14-9-8-13/h3,5,11H,4,6-10,13H2,1-2H3,(H,14,15)/b5-3+
InChIKeyLGNRYFGMYNZLCB-HWKANZROSA-N
MW228.34 g/mol
LogP1.21
Rot. Bonds9

About N-(2-aminoethyl)-2-[(E)-oct-6-en-3-yl]oxyacetamide

N-(2-aminoethyl)-2-[(E)-oct-6-en-3-yl]oxyacetamide (PubChem CID 126728323) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[(E)-oct-6-en-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[(E)-oct-6-en-3-yl]oxyacetamide
PubChem CID126728323
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(2-aminoethyl)-2-[(E)-oct-6-en-3-yl]oxyacetamide
SMILESC/C=C/CCC(CC)OCC(=O)NCCN
InChIInChI=1S/C12H24N2O2/c1-3-5-6-7-11(4-2)16-10-12(15)14-9-8-13/h3,5,11H,4,6-10,13H2,1-2H3,(H,14,15)/b5-3+
InChIKeyLGNRYFGMYNZLCB-HWKANZROSA-N
XLogP1.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.21
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-[(E)-oct-6-en-3-yl]oxyacetamide?
The IUPAC name of N-(2-aminoethyl)-2-[(E)-oct-6-en-3-yl]oxyacetamide (CID 126728323) is N-(2-aminoethyl)-2-[(E)-oct-6-en-3-yl]oxyacetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[(E)-oct-6-en-3-yl]oxyacetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[(E)-oct-6-en-3-yl]oxyacetamide is C/C=C/CCC(CC)OCC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-[(E)-oct-6-en-3-yl]oxyacetamide?
The InChIKey is LGNRYFGMYNZLCB-HWKANZROSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-5-6-7-11(4-2)16-10-12(15)14-9-8-13/h3,5,11H,4,6-10,13H2,1-2H3,(H,14,15)/b5-3+.
What are the key properties of N-(2-aminoethyl)-2-[(E)-oct-6-en-3-yl]oxyacetamide?
N-(2-aminoethyl)-2-[(E)-oct-6-en-3-yl]oxyacetamide has a molecular weight of 228.34 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[(E)-oct-6-en-3-yl]oxyacetamide is sourced from PubChem (CID 126728323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).