N-(2-aminoethyl)-2-cyclooct-4-en-1-yloxyacetamide

C12H22N2O2 — CID 123295112

IUPACN-(2-aminoethyl)-2-cyclooct-4-en-1-yloxyacetamide
SMILESNCCNC(=O)COC1CCC=CCCC1
InChIInChI=1S/C12H22N2O2/c13-8-9-14-12(15)10-16-11-6-4-2-1-3-5-7-11/h1-2,11H,3-10,13H2,(H,14,15)
InChIKeyFPVJURXRNKKHLU-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.97
Rot. Bonds5

About N-(2-aminoethyl)-2-cyclooct-4-en-1-yloxyacetamide

N-(2-aminoethyl)-2-cyclooct-4-en-1-yloxyacetamide (PubChem CID 123295112) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-cyclooct-4-en-1-yloxyacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-cyclooct-4-en-1-yloxyacetamide
PubChem CID123295112
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(2-aminoethyl)-2-cyclooct-4-en-1-yloxyacetamide
SMILESNCCNC(=O)COC1CCC=CCCC1
InChIInChI=1S/C12H22N2O2/c13-8-9-14-12(15)10-16-11-6-4-2-1-3-5-7-11/h1-2,11H,3-10,13H2,(H,14,15)
InChIKeyFPVJURXRNKKHLU-UHFFFAOYSA-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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Related Compounds

N-(2-aminoethyl)-2-[(1R,4E)-cyclooct-4-en-1-yl]oxyacetamide;2-[(1R,4E)-cyclooct-4-en-1-yl]oxyacetic acid;dichloromethane;(2,5-dioxopyrrolidin-1-yl) 2-[(1R,4E)-cyclooct-4-en-1-yl]oxyacetate;ethane-1,2-diamine
CID 158428260
N-(2-aminoethyl)-2-piperidin-4-yloxyacetamide
CID 63876226
[(4E)-cyclooct-4-en-1-yl] N-(aminomethyl)carbamate
CID 138548914
2-cyclopentyloxy-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119503016
N-(2-aminoethyl)-3-[[2-(3-methylidenecyclooctyl)oxyacetyl]amino]propanamide
CID 167269241
[(4Z)-cyclooct-4-en-1-yl] N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 146026023
N-[2-[(2-cyclopentyloxyacetyl)amino]ethyl]-4-hydroxybenzamide
CID 47058267
2-cyclopentyloxyacetohydrazide
CID 60782273
6-[(2-cyclooctyloxyacetyl)amino]hexyl dihydrogen phosphate;yttrium
CID 178169246
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[(4E)-cyclooct-4-en-1-yl]oxy-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide;(2,5-dioxocyclopentyl) 2-[(4E)-cyclooct-4-en-1-yl]oxyacetate;(2,5-dioxopyrrolidin-1-yl) (1S,4E,8R)-bicyclo[6.1.0]non-4-ene-9-carboxylate;(1S,4E,8R)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 158721615
N-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
CID 97023264
N-(2-cyclooct-4-en-1-yloxyethyl)-4-(18F)fluoro(18F)benzamide
CID 123167407

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-cyclooct-4-en-1-yloxyacetamide?
The IUPAC name of N-(2-aminoethyl)-2-cyclooct-4-en-1-yloxyacetamide (CID 123295112) is N-(2-aminoethyl)-2-cyclooct-4-en-1-yloxyacetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-cyclooct-4-en-1-yloxyacetamide?
The canonical SMILES for N-(2-aminoethyl)-2-cyclooct-4-en-1-yloxyacetamide is NCCNC(=O)COC1CCC=CCCC1.
What is the InChIKey of N-(2-aminoethyl)-2-cyclooct-4-en-1-yloxyacetamide?
The InChIKey is FPVJURXRNKKHLU-UHFFFAOYSA-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/h1-2,11H,3-10,13H2,(H,14,15).
What are the key properties of N-(2-aminoethyl)-2-cyclooct-4-en-1-yloxyacetamide?
N-(2-aminoethyl)-2-cyclooct-4-en-1-yloxyacetamide 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-cyclooct-4-en-1-yloxyacetamide is sourced from PubChem (CID 123295112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).