methyl 2-[4-(2-methoxy-2-oxoethyl)-1,4-dimorpholin-4-ylcyclohexyl]acetate

C20H34N2O6 — CID 50905633

IUPACmethyl 2-[4-(2-methoxy-2-oxoethyl)-1,4-dimorpholin-4-ylcyclohexyl]acetate
SMILESCOC(=O)CC1(N2CCOCC2)CCC(CC(=O)OC)(N2CCOCC2)CC1
InChIInChI=1S/C20H34N2O6/c1-25-17(23)15-19(21-7-11-27-12-8-21)3-5-20(6-4-19,16-18(24)26-2)22-9-13-28-14-10-22/h3-16H2,1-2H3
InChIKeyLQNHKDYDLTZICJ-UHFFFAOYSA-N
MW398.50 g/mol
LogP0.83
Rot. Bonds6

About methyl 2-[4-(2-methoxy-2-oxoethyl)-1,4-dimorpholin-4-ylcyclohexyl]acetate

methyl 2-[4-(2-methoxy-2-oxoethyl)-1,4-dimorpholin-4-ylcyclohexyl]acetate (PubChem CID 50905633) has the molecular formula C20H34N2O6 and a molecular weight of 398.50 g/mol. Its IUPAC name is methyl 2-[4-(2-methoxy-2-oxoethyl)-1,4-dimorpholin-4-ylcyclohexyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-methoxy-2-oxoethyl)-1,4-dimorpholin-4-ylcyclohexyl]acetate
PubChem CID50905633
Molecular FormulaC20H34N2O6
Molecular Weight398.50 g/mol
Exact Mass398.24
IUPAC Namemethyl 2-[4-(2-methoxy-2-oxoethyl)-1,4-dimorpholin-4-ylcyclohexyl]acetate
SMILESCOC(=O)CC1(N2CCOCC2)CCC(CC(=O)OC)(N2CCOCC2)CC1
InChIInChI=1S/C20H34N2O6/c1-25-17(23)15-19(21-7-11-27-12-8-21)3-5-20(6-4-19,16-18(24)26-2)22-9-13-28-14-10-22/h3-16H2,1-2H3
InChIKeyLQNHKDYDLTZICJ-UHFFFAOYSA-N
XLogP0.83
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-methoxy-2-oxoethyl)-1,4-dimorpholin-4-ylcyclohexyl]acetate?
The IUPAC name of methyl 2-[4-(2-methoxy-2-oxoethyl)-1,4-dimorpholin-4-ylcyclohexyl]acetate (CID 50905633) is methyl 2-[4-(2-methoxy-2-oxoethyl)-1,4-dimorpholin-4-ylcyclohexyl]acetate.
What is the SMILES notation for methyl 2-[4-(2-methoxy-2-oxoethyl)-1,4-dimorpholin-4-ylcyclohexyl]acetate?
The canonical SMILES for methyl 2-[4-(2-methoxy-2-oxoethyl)-1,4-dimorpholin-4-ylcyclohexyl]acetate is COC(=O)CC1(N2CCOCC2)CCC(CC(=O)OC)(N2CCOCC2)CC1.
What is the InChIKey of methyl 2-[4-(2-methoxy-2-oxoethyl)-1,4-dimorpholin-4-ylcyclohexyl]acetate?
The InChIKey is LQNHKDYDLTZICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O6/c1-25-17(23)15-19(21-7-11-27-12-8-21)3-5-20(6-4-19,16-18(24)26-2)22-9-13-28-14-10-22/h3-16H2,1-2H3.
What are the key properties of methyl 2-[4-(2-methoxy-2-oxoethyl)-1,4-dimorpholin-4-ylcyclohexyl]acetate?
methyl 2-[4-(2-methoxy-2-oxoethyl)-1,4-dimorpholin-4-ylcyclohexyl]acetate has a molecular weight of 398.50 g/mol, XLogP of 0.83, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-methoxy-2-oxoethyl)-1,4-dimorpholin-4-ylcyclohexyl]acetate is sourced from PubChem (CID 50905633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).