N-[2-(2-ethoxyethoxy)ethyl]-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide

C17H31NO4 — CID 167078174

IUPACN-[2-(2-ethoxyethoxy)ethyl]-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide
SMILESCCOCCOCCNC(=O)COC1/C=C(/C)CCCCC1
InChIInChI=1S/C17H31NO4/c1-3-20-11-12-21-10-9-18-17(19)14-22-16-8-6-4-5-7-15(2)13-16/h13,16H,3-12,14H2,1-2H3,(H,18,19)/b15-13-
InChIKeyGCBDYXCGBKMHFL-SQFISAMPSA-N
MW313.44 g/mol
LogP2.45
Rot. Bonds10

About N-[2-(2-ethoxyethoxy)ethyl]-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide

N-[2-(2-ethoxyethoxy)ethyl]-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide (PubChem CID 167078174) has the molecular formula C17H31NO4 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[2-(2-ethoxyethoxy)ethyl]-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide.

Molecular Properties

Compound NameN-[2-(2-ethoxyethoxy)ethyl]-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide
PubChem CID167078174
Molecular FormulaC17H31NO4
Molecular Weight313.44 g/mol
Exact Mass313.23
IUPAC NameN-[2-(2-ethoxyethoxy)ethyl]-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide
SMILESCCOCCOCCNC(=O)COC1/C=C(/C)CCCCC1
InChIInChI=1S/C17H31NO4/c1-3-20-11-12-21-10-9-18-17(19)14-22-16-8-6-4-5-7-15(2)13-16/h13,16H,3-12,14H2,1-2H3,(H,18,19)/b15-13-
InChIKeyGCBDYXCGBKMHFL-SQFISAMPSA-N
XLogP2.45
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyethoxy)ethyl]-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide?
The IUPAC name of N-[2-(2-ethoxyethoxy)ethyl]-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide (CID 167078174) is N-[2-(2-ethoxyethoxy)ethyl]-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide.
What is the SMILES notation for N-[2-(2-ethoxyethoxy)ethyl]-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide?
The canonical SMILES for N-[2-(2-ethoxyethoxy)ethyl]-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide is CCOCCOCCNC(=O)COC1/C=C(/C)CCCCC1.
What is the InChIKey of N-[2-(2-ethoxyethoxy)ethyl]-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide?
The InChIKey is GCBDYXCGBKMHFL-SQFISAMPSA-N. The full InChI is InChI=1S/C17H31NO4/c1-3-20-11-12-21-10-9-18-17(19)14-22-16-8-6-4-5-7-15(2)13-16/h13,16H,3-12,14H2,1-2H3,(H,18,19)/b15-13-.
What are the key properties of N-[2-(2-ethoxyethoxy)ethyl]-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide?
N-[2-(2-ethoxyethoxy)ethyl]-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide has a molecular weight of 313.44 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyethoxy)ethyl]-2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyacetamide is sourced from PubChem (CID 167078174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).