[(1R,2S,6S)-2-(diacetylamino)-6-ethoxycyclohexyl] acetate

C14H23NO5 — CID 23270670

IUPAC[(1R,2S,6S)-2-(diacetylamino)-6-ethoxycyclohexyl] acetate
SMILESCCO[C@H]1CCC[C@H](N(C(C)=O)C(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C14H23NO5/c1-5-19-13-8-6-7-12(14(13)20-11(4)18)15(9(2)16)10(3)17/h12-14H,5-8H2,1-4H3/t12-,13-,14+/m0/s1
InChIKeyONMHRKJNJXGHEL-MELADBBJSA-N
MW285.34 g/mol
LogP1.27
Rot. Bonds4

About [(1R,2S,6S)-2-(diacetylamino)-6-ethoxycyclohexyl] acetate

[(1R,2S,6S)-2-(diacetylamino)-6-ethoxycyclohexyl] acetate (PubChem CID 23270670) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is [(1R,2S,6S)-2-(diacetylamino)-6-ethoxycyclohexyl] acetate.

Molecular Properties

Compound Name[(1R,2S,6S)-2-(diacetylamino)-6-ethoxycyclohexyl] acetate
PubChem CID23270670
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name[(1R,2S,6S)-2-(diacetylamino)-6-ethoxycyclohexyl] acetate
SMILESCCO[C@H]1CCC[C@H](N(C(C)=O)C(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C14H23NO5/c1-5-19-13-8-6-7-12(14(13)20-11(4)18)15(9(2)16)10(3)17/h12-14H,5-8H2,1-4H3/t12-,13-,14+/m0/s1
InChIKeyONMHRKJNJXGHEL-MELADBBJSA-N
XLogP1.27
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,6S)-2-(diacetylamino)-6-ethoxycyclohexyl] acetate?
The IUPAC name of [(1R,2S,6S)-2-(diacetylamino)-6-ethoxycyclohexyl] acetate (CID 23270670) is [(1R,2S,6S)-2-(diacetylamino)-6-ethoxycyclohexyl] acetate.
What is the SMILES notation for [(1R,2S,6S)-2-(diacetylamino)-6-ethoxycyclohexyl] acetate?
The canonical SMILES for [(1R,2S,6S)-2-(diacetylamino)-6-ethoxycyclohexyl] acetate is CCO[C@H]1CCC[C@H](N(C(C)=O)C(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(1R,2S,6S)-2-(diacetylamino)-6-ethoxycyclohexyl] acetate?
The InChIKey is ONMHRKJNJXGHEL-MELADBBJSA-N. The full InChI is InChI=1S/C14H23NO5/c1-5-19-13-8-6-7-12(14(13)20-11(4)18)15(9(2)16)10(3)17/h12-14H,5-8H2,1-4H3/t12-,13-,14+/m0/s1.
What are the key properties of [(1R,2S,6S)-2-(diacetylamino)-6-ethoxycyclohexyl] acetate?
[(1R,2S,6S)-2-(diacetylamino)-6-ethoxycyclohexyl] acetate has a molecular weight of 285.34 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,6S)-2-(diacetylamino)-6-ethoxycyclohexyl] acetate is sourced from PubChem (CID 23270670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).