1-[3-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]azetidin-1-yl]ethanone

C14H24N2O4 — CID 128978793

IUPAC1-[3-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]azetidin-1-yl]ethanone
SMILESCOCC1CN(C(=O)C2CN(C(C)=O)C2)CC(C)(C)O1
InChIInChI=1S/C14H24N2O4/c1-10(17)15-5-11(6-15)13(18)16-7-12(8-19-4)20-14(2,3)9-16/h11-12H,5-9H2,1-4H3
InChIKeyUPHWTLRDKRPZLB-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.12
Rot. Bonds3

About 1-[3-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]azetidin-1-yl]ethanone

1-[3-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]azetidin-1-yl]ethanone (PubChem CID 128978793) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[3-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]azetidin-1-yl]ethanone
PubChem CID128978793
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[3-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]azetidin-1-yl]ethanone
SMILESCOCC1CN(C(=O)C2CN(C(C)=O)C2)CC(C)(C)O1
InChIInChI=1S/C14H24N2O4/c1-10(17)15-5-11(6-15)13(18)16-7-12(8-19-4)20-14(2,3)9-16/h11-12H,5-9H2,1-4H3
InChIKeyUPHWTLRDKRPZLB-UHFFFAOYSA-N
XLogP0.12
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]azetidin-1-yl]ethanone (CID 128978793) is 1-[3-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]azetidin-1-yl]ethanone is COCC1CN(C(=O)C2CN(C(C)=O)C2)CC(C)(C)O1.
What is the InChIKey of 1-[3-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]azetidin-1-yl]ethanone?
The InChIKey is UPHWTLRDKRPZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10(17)15-5-11(6-15)13(18)16-7-12(8-19-4)20-14(2,3)9-16/h11-12H,5-9H2,1-4H3.
What are the key properties of 1-[3-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]azetidin-1-yl]ethanone?
1-[3-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]azetidin-1-yl]ethanone has a molecular weight of 284.36 g/mol, XLogP of 0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(methoxymethyl)-2,2-dimethylmorpholine-4-carbonyl]azetidin-1-yl]ethanone is sourced from PubChem (CID 128978793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).