2-(2-aminoethoxy)-N-cyclopentyl-N-prop-2-enylacetamide

C12H22N2O2 — CID 79473861

IUPAC2-(2-aminoethoxy)-N-cyclopentyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)COCCN)C1CCCC1
InChIInChI=1S/C12H22N2O2/c1-2-8-14(11-5-3-4-6-11)12(15)10-16-9-7-13/h2,11H,1,3-10,13H2
InChIKeyCZIOONCMHRVORV-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.92
Rot. Bonds7

About 2-(2-aminoethoxy)-N-cyclopentyl-N-prop-2-enylacetamide

2-(2-aminoethoxy)-N-cyclopentyl-N-prop-2-enylacetamide (PubChem CID 79473861) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-cyclopentyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-cyclopentyl-N-prop-2-enylacetamide
PubChem CID79473861
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(2-aminoethoxy)-N-cyclopentyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)COCCN)C1CCCC1
InChIInChI=1S/C12H22N2O2/c1-2-8-14(11-5-3-4-6-11)12(15)10-16-9-7-13/h2,11H,1,3-10,13H2
InChIKeyCZIOONCMHRVORV-UHFFFAOYSA-N
XLogP0.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
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-cyclopentyl-N-prop-2-enylacetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-cyclopentyl-N-prop-2-enylacetamide (CID 79473861) is 2-(2-aminoethoxy)-N-cyclopentyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-cyclopentyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-cyclopentyl-N-prop-2-enylacetamide is C=CCN(C(=O)COCCN)C1CCCC1.
What is the InChIKey of 2-(2-aminoethoxy)-N-cyclopentyl-N-prop-2-enylacetamide?
The InChIKey is CZIOONCMHRVORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-8-14(11-5-3-4-6-11)12(15)10-16-9-7-13/h2,11H,1,3-10,13H2.
What are the key properties of 2-(2-aminoethoxy)-N-cyclopentyl-N-prop-2-enylacetamide?
2-(2-aminoethoxy)-N-cyclopentyl-N-prop-2-enylacetamide has a molecular weight of 226.32 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-cyclopentyl-N-prop-2-enylacetamide is sourced from PubChem (CID 79473861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).