1-(3,3-dimethylmorpholin-4-yl)-2-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethoxy]ethanone

C16H28N2O5 — CID 122159130

IUPAC1-(3,3-dimethylmorpholin-4-yl)-2-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethoxy]ethanone
SMILESCC1(C)COCCN1C(=O)COCC(=O)N1CCOCC1(C)C
InChIInChI=1S/C16H28N2O5/c1-15(2)11-21-7-5-17(15)13(19)9-23-10-14(20)18-6-8-22-12-16(18,3)4/h5-12H2,1-4H3
InChIKeyXFTHNCWLOCWNAD-UHFFFAOYSA-N
MW328.41 g/mol
LogP0.28
Rot. Bonds4

About 1-(3,3-dimethylmorpholin-4-yl)-2-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethoxy]ethanone

1-(3,3-dimethylmorpholin-4-yl)-2-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethoxy]ethanone (PubChem CID 122159130) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholin-4-yl)-2-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethoxy]ethanone.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholin-4-yl)-2-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethoxy]ethanone
PubChem CID122159130
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Name1-(3,3-dimethylmorpholin-4-yl)-2-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethoxy]ethanone
SMILESCC1(C)COCCN1C(=O)COCC(=O)N1CCOCC1(C)C
InChIInChI=1S/C16H28N2O5/c1-15(2)11-21-7-5-17(15)13(19)9-23-10-14(20)18-6-8-22-12-16(18,3)4/h5-12H2,1-4H3
InChIKeyXFTHNCWLOCWNAD-UHFFFAOYSA-N
XLogP0.28
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-2-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethoxy]ethanone?
The IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-2-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethoxy]ethanone (CID 122159130) is 1-(3,3-dimethylmorpholin-4-yl)-2-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethoxy]ethanone.
What is the SMILES notation for 1-(3,3-dimethylmorpholin-4-yl)-2-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethoxy]ethanone?
The canonical SMILES for 1-(3,3-dimethylmorpholin-4-yl)-2-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethoxy]ethanone is CC1(C)COCCN1C(=O)COCC(=O)N1CCOCC1(C)C.
What is the InChIKey of 1-(3,3-dimethylmorpholin-4-yl)-2-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethoxy]ethanone?
The InChIKey is XFTHNCWLOCWNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O5/c1-15(2)11-21-7-5-17(15)13(19)9-23-10-14(20)18-6-8-22-12-16(18,3)4/h5-12H2,1-4H3.
What are the key properties of 1-(3,3-dimethylmorpholin-4-yl)-2-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethoxy]ethanone?
1-(3,3-dimethylmorpholin-4-yl)-2-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethoxy]ethanone has a molecular weight of 328.41 g/mol, XLogP of 0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylmorpholin-4-yl)-2-[2-(3,3-dimethylmorpholin-4-yl)-2-oxoethoxy]ethanone is sourced from PubChem (CID 122159130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).