N-[2-[2-(methylamino)ethoxy]ethyl]-2-(2-methylcyclooct-2-en-1-yl)oxyacetamide

C16H30N2O3 — CID 174004773

IUPACN-[2-[2-(methylamino)ethoxy]ethyl]-2-(2-methylcyclooct-2-en-1-yl)oxyacetamide
SMILESCNCCOCCNC(=O)COC1CCCCCC=C1C
InChIInChI=1S/C16H30N2O3/c1-14-7-5-3-4-6-8-15(14)21-13-16(19)18-10-12-20-11-9-17-2/h7,15,17H,3-6,8-13H2,1-2H3,(H,18,19)
InChIKeyVAPIVPCHDAVVMU-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.63
Rot. Bonds9

About N-[2-[2-(methylamino)ethoxy]ethyl]-2-(2-methylcyclooct-2-en-1-yl)oxyacetamide

N-[2-[2-(methylamino)ethoxy]ethyl]-2-(2-methylcyclooct-2-en-1-yl)oxyacetamide (PubChem CID 174004773) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[2-[2-(methylamino)ethoxy]ethyl]-2-(2-methylcyclooct-2-en-1-yl)oxyacetamide.

Molecular Properties

Compound NameN-[2-[2-(methylamino)ethoxy]ethyl]-2-(2-methylcyclooct-2-en-1-yl)oxyacetamide
PubChem CID174004773
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-[2-[2-(methylamino)ethoxy]ethyl]-2-(2-methylcyclooct-2-en-1-yl)oxyacetamide
SMILESCNCCOCCNC(=O)COC1CCCCCC=C1C
InChIInChI=1S/C16H30N2O3/c1-14-7-5-3-4-6-8-15(14)21-13-16(19)18-10-12-20-11-9-17-2/h7,15,17H,3-6,8-13H2,1-2H3,(H,18,19)
InChIKeyVAPIVPCHDAVVMU-UHFFFAOYSA-N
XLogP1.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.63
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-[2-[2-(methylamino)ethoxy]ethyl]acetamide
CID 156533034
2-cyclopentyloxy-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119503016
N-(2-cyclohexyloxyethyl)-2-ethoxyacetamide
CID 61217692
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
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
N-(3-cyclohexyloxypropyl)-2-(4-methylphenoxy)acetamide
CID 134030025
2-cyclooct-2-yn-1-yloxy-N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 164777208
(2,3,4,5,6-pentafluorophenyl) 3-[2-[3-[2-[2-[[2-(2-bicyclo[6.1.0]non-1(9)-enyloxy)acetyl]amino]ethoxy]ethoxy]propanoylamino]-3-[3-oxo-3-(2,3,4,5,6-pentafluorophenoxy)propoxy]propoxy]propanoate
CID 174359426
N-(3-cyclohexyloxypropyl)-2-ethoxyacetamide
CID 60668714
2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 621407
ethane;2-[2-[2-(methylamino)ethoxy]ethoxy]-N-(2-methylpropyl)acetamide
CID 153390370
N-(3-cyclohexyloxypropyl)-2-(3-methylphenoxy)acetamide
CID 134029943

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylamino)ethoxy]ethyl]-2-(2-methylcyclooct-2-en-1-yl)oxyacetamide?
The IUPAC name of N-[2-[2-(methylamino)ethoxy]ethyl]-2-(2-methylcyclooct-2-en-1-yl)oxyacetamide (CID 174004773) is N-[2-[2-(methylamino)ethoxy]ethyl]-2-(2-methylcyclooct-2-en-1-yl)oxyacetamide.
What is the SMILES notation for N-[2-[2-(methylamino)ethoxy]ethyl]-2-(2-methylcyclooct-2-en-1-yl)oxyacetamide?
The canonical SMILES for N-[2-[2-(methylamino)ethoxy]ethyl]-2-(2-methylcyclooct-2-en-1-yl)oxyacetamide is CNCCOCCNC(=O)COC1CCCCCC=C1C.
What is the InChIKey of N-[2-[2-(methylamino)ethoxy]ethyl]-2-(2-methylcyclooct-2-en-1-yl)oxyacetamide?
The InChIKey is VAPIVPCHDAVVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-14-7-5-3-4-6-8-15(14)21-13-16(19)18-10-12-20-11-9-17-2/h7,15,17H,3-6,8-13H2,1-2H3,(H,18,19).
What are the key properties of N-[2-[2-(methylamino)ethoxy]ethyl]-2-(2-methylcyclooct-2-en-1-yl)oxyacetamide?
N-[2-[2-(methylamino)ethoxy]ethyl]-2-(2-methylcyclooct-2-en-1-yl)oxyacetamide has a molecular weight of 298.43 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylamino)ethoxy]ethyl]-2-(2-methylcyclooct-2-en-1-yl)oxyacetamide is sourced from PubChem (CID 174004773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).