[2-[2-(dimethylamino)ethoxy]-2-oxoethyl] cyclohexanecarboxylate

C13H23NO4 — CID 167159691

IUPAC[2-[2-(dimethylamino)ethoxy]-2-oxoethyl] cyclohexanecarboxylate
SMILESCN(C)CCOC(=O)COC(=O)C1CCCCC1
InChIInChI=1S/C13H23NO4/c1-14(2)8-9-17-12(15)10-18-13(16)11-6-4-3-5-7-11/h11H,3-10H2,1-2H3
InChIKeyLZTGANJZZONBIQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.21
Rot. Bonds6

About [2-[2-(dimethylamino)ethoxy]-2-oxoethyl] cyclohexanecarboxylate

[2-[2-(dimethylamino)ethoxy]-2-oxoethyl] cyclohexanecarboxylate (PubChem CID 167159691) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is [2-[2-(dimethylamino)ethoxy]-2-oxoethyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[2-[2-(dimethylamino)ethoxy]-2-oxoethyl] cyclohexanecarboxylate
PubChem CID167159691
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name[2-[2-(dimethylamino)ethoxy]-2-oxoethyl] cyclohexanecarboxylate
SMILESCN(C)CCOC(=O)COC(=O)C1CCCCC1
InChIInChI=1S/C13H23NO4/c1-14(2)8-9-17-12(15)10-18-13(16)11-6-4-3-5-7-11/h11H,3-10H2,1-2H3
InChIKeyLZTGANJZZONBIQ-UHFFFAOYSA-N
XLogP1.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)ethoxy]-2-oxoethyl] cyclohexanecarboxylate?
The IUPAC name of [2-[2-(dimethylamino)ethoxy]-2-oxoethyl] cyclohexanecarboxylate (CID 167159691) is [2-[2-(dimethylamino)ethoxy]-2-oxoethyl] cyclohexanecarboxylate.
What is the SMILES notation for [2-[2-(dimethylamino)ethoxy]-2-oxoethyl] cyclohexanecarboxylate?
The canonical SMILES for [2-[2-(dimethylamino)ethoxy]-2-oxoethyl] cyclohexanecarboxylate is CN(C)CCOC(=O)COC(=O)C1CCCCC1.
What is the InChIKey of [2-[2-(dimethylamino)ethoxy]-2-oxoethyl] cyclohexanecarboxylate?
The InChIKey is LZTGANJZZONBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-14(2)8-9-17-12(15)10-18-13(16)11-6-4-3-5-7-11/h11H,3-10H2,1-2H3.
What are the key properties of [2-[2-(dimethylamino)ethoxy]-2-oxoethyl] cyclohexanecarboxylate?
[2-[2-(dimethylamino)ethoxy]-2-oxoethyl] cyclohexanecarboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)ethoxy]-2-oxoethyl] cyclohexanecarboxylate is sourced from PubChem (CID 167159691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).