2-(2-aminoethoxy)-N-cyclohex-3-en-1-ylacetamide

C10H18N2O2 — CID 79479460

IUPAC2-(2-aminoethoxy)-N-cyclohex-3-en-1-ylacetamide
SMILESNCCOCC(=O)NC1CC=CCC1
InChIInChI=1S/C10H18N2O2/c11-6-7-14-8-10(13)12-9-4-2-1-3-5-9/h1-2,9H,3-8,11H2,(H,12,13)
InChIKeyDRCLJCISJHUYMQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.19
Rot. Bonds5

About 2-(2-aminoethoxy)-N-cyclohex-3-en-1-ylacetamide

2-(2-aminoethoxy)-N-cyclohex-3-en-1-ylacetamide (PubChem CID 79479460) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-cyclohex-3-en-1-ylacetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-cyclohex-3-en-1-ylacetamide
PubChem CID79479460
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-(2-aminoethoxy)-N-cyclohex-3-en-1-ylacetamide
SMILESNCCOCC(=O)NC1CC=CCC1
InChIInChI=1S/C10H18N2O2/c11-6-7-14-8-10(13)12-9-4-2-1-3-5-9/h1-2,9H,3-8,11H2,(H,12,13)
InChIKeyDRCLJCISJHUYMQ-UHFFFAOYSA-N
XLogP0.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(2-aminoethoxy)-N-cyclohex-3-en-1-ylacetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-cyclohex-3-en-1-ylacetamide (CID 79479460) is 2-(2-aminoethoxy)-N-cyclohex-3-en-1-ylacetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-cyclohex-3-en-1-ylacetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-cyclohex-3-en-1-ylacetamide is NCCOCC(=O)NC1CC=CCC1.
What is the InChIKey of 2-(2-aminoethoxy)-N-cyclohex-3-en-1-ylacetamide?
The InChIKey is DRCLJCISJHUYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-6-7-14-8-10(13)12-9-4-2-1-3-5-9/h1-2,9H,3-8,11H2,(H,12,13).
What are the key properties of 2-(2-aminoethoxy)-N-cyclohex-3-en-1-ylacetamide?
2-(2-aminoethoxy)-N-cyclohex-3-en-1-ylacetamide has a molecular weight of 198.27 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-cyclohex-3-en-1-ylacetamide is sourced from PubChem (CID 79479460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).