2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide

C15H28N2O3 — CID 156533034

IUPAC2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide
SMILESCNCCOCCNC(=O)COC1/C=C\CCCCC1
InChIInChI=1S/C15H28N2O3/c1-16-9-11-19-12-10-17-15(18)13-20-14-7-5-3-2-4-6-8-14/h5,7,14,16H,2-4,6,8-13H2,1H3,(H,17,18)/b7-5-
InChIKeyQJLGHAWMMBRDAA-ALCCZGGFSA-N
MW284.40 g/mol
LogP1.24
Rot. Bonds9

About 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide

2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide (PubChem CID 156533034) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide
PubChem CID156533034
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide
SMILESCNCCOCCNC(=O)COC1/C=C\CCCCC1
InChIInChI=1S/C15H28N2O3/c1-16-9-11-19-12-10-17-15(18)13-20-14-7-5-3-2-4-6-8-14/h5,7,14,16H,2-4,6,8-13H2,1H3,(H,17,18)/b7-5-
InChIKeyQJLGHAWMMBRDAA-ALCCZGGFSA-N
XLogP1.24
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-methylacetamide
CID 167046429
N-[2-[2-(methylamino)ethoxy]ethyl]-2-(2-methylcyclooct-2-en-1-yl)oxyacetamide
CID 174004773
[(1S,2E)-cyclooct-2-en-1-yl] N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]carbamate
CID 169450345
3-[(2E)-cyclooct-2-en-1-yl]oxypropanehydrazide
CID 155273444
2-cyclopentyloxy-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119503016
N-(2-cyclohexyloxyethyl)-2-ethoxyacetamide
CID 61217692
[(2E)-cyclooct-2-en-1-yl] N-butylcarbamate
CID 155745211
2-[2-[2-(methylamino)ethoxy]ethoxy]-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]acetamide
CID 59533808
N-(2-aminoethyl)-2-[[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetyl]amino]acetamide
CID 156533045
2-cyclooct-2-yn-1-yloxy-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 118121596
2-cyclooct-2-yn-1-yloxy-N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 164777208
2-[2-[(2-cyclohexylacetyl)amino]ethoxy]acetic acid
CID 79457520

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide?
The IUPAC name of 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide (CID 156533034) is 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide.
What is the SMILES notation for 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide?
The canonical SMILES for 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide is CNCCOCCNC(=O)COC1/C=C\CCCCC1.
What is the InChIKey of 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide?
The InChIKey is QJLGHAWMMBRDAA-ALCCZGGFSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-16-9-11-19-12-10-17-15(18)13-20-14-7-5-3-2-4-6-8-14/h5,7,14,16H,2-4,6,8-13H2,1H3,(H,17,18)/b7-5-.
What are the key properties of 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide?
2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide has a molecular weight of 284.40 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-[2-[2-(methylamino)ethoxy]ethyl]acetamide is sourced from PubChem (CID 156533034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).