ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate

C11H21NO3 — CID 63740064

IUPACethyl 2-(ethylamino)-2-(oxan-3-yl)acetate
SMILESCCNC(C(=O)OCC)C1CCCOC1
InChIInChI=1S/C11H21NO3/c1-3-12-10(11(13)15-4-2)9-6-5-7-14-8-9/h9-10,12H,3-8H2,1-2H3
InChIKeyOWMUHPNARBNTKK-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.95
Rot. Bonds5

About ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate

ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate (PubChem CID 63740064) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-2-(oxan-3-yl)acetate
PubChem CID63740064
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 2-(ethylamino)-2-(oxan-3-yl)acetate
SMILESCCNC(C(=O)OCC)C1CCCOC1
InChIInChI=1S/C11H21NO3/c1-3-12-10(11(13)15-4-2)9-6-5-7-14-8-9/h9-10,12H,3-8H2,1-2H3
InChIKeyOWMUHPNARBNTKK-UHFFFAOYSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate?
The IUPAC name of ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate (CID 63740064) is ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate.
What is the SMILES notation for ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate?
The canonical SMILES for ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate is CCNC(C(=O)OCC)C1CCCOC1.
What is the InChIKey of ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate?
The InChIKey is OWMUHPNARBNTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-12-10(11(13)15-4-2)9-6-5-7-14-8-9/h9-10,12H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate?
ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate has a molecular weight of 215.29 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate is sourced from PubChem (CID 63740064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).