2-methoxy-1,2-dimorpholin-4-ylpropan-1-one

C12H22N2O4 — CID 10682642

IUPAC2-methoxy-1,2-dimorpholin-4-ylpropan-1-one
SMILESCOC(C)(C(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-12(16-2,14-5-9-18-10-6-14)11(15)13-3-7-17-8-4-13/h3-10H2,1-2H3
InChIKeyCYZATICLBKAOLY-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.46
Rot. Bonds3

About 2-methoxy-1,2-dimorpholin-4-ylpropan-1-one

2-methoxy-1,2-dimorpholin-4-ylpropan-1-one (PubChem CID 10682642) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methoxy-1,2-dimorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-methoxy-1,2-dimorpholin-4-ylpropan-1-one
PubChem CID10682642
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-methoxy-1,2-dimorpholin-4-ylpropan-1-one
SMILESCOC(C)(C(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-12(16-2,14-5-9-18-10-6-14)11(15)13-3-7-17-8-4-13/h3-10H2,1-2H3
InChIKeyCYZATICLBKAOLY-UHFFFAOYSA-N
XLogP-0.46
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,2-dimorpholin-4-ylpropan-1-one?
The IUPAC name of 2-methoxy-1,2-dimorpholin-4-ylpropan-1-one (CID 10682642) is 2-methoxy-1,2-dimorpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-methoxy-1,2-dimorpholin-4-ylpropan-1-one?
The canonical SMILES for 2-methoxy-1,2-dimorpholin-4-ylpropan-1-one is COC(C)(C(=O)N1CCOCC1)N1CCOCC1.
What is the InChIKey of 2-methoxy-1,2-dimorpholin-4-ylpropan-1-one?
The InChIKey is CYZATICLBKAOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(16-2,14-5-9-18-10-6-14)11(15)13-3-7-17-8-4-13/h3-10H2,1-2H3.
What are the key properties of 2-methoxy-1,2-dimorpholin-4-ylpropan-1-one?
2-methoxy-1,2-dimorpholin-4-ylpropan-1-one has a molecular weight of 258.32 g/mol, XLogP of -0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,2-dimorpholin-4-ylpropan-1-one is sourced from PubChem (CID 10682642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).