1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone

C16H23NO4 — CID 129485528

IUPAC1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone
SMILESCOC[C@@H]1CN(C(=O)COc2ccccc2)CC(C)(C)O1
InChIInChI=1S/C16H23NO4/c1-16(2)12-17(9-14(21-16)10-19-3)15(18)11-20-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m0/s1
InChIKeyGOIYZCXGRMODNW-AWEZNQCLSA-N
MW293.36 g/mol
LogP1.72
Rot. Bonds5

About 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone

1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone (PubChem CID 129485528) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone
PubChem CID129485528
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone
SMILESCOC[C@@H]1CN(C(=O)COc2ccccc2)CC(C)(C)O1
InChIInChI=1S/C16H23NO4/c1-16(2)12-17(9-14(21-16)10-19-3)15(18)11-20-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m0/s1
InChIKeyGOIYZCXGRMODNW-AWEZNQCLSA-N
XLogP1.72
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenoxy)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129485675
2-(2-chlorophenoxy)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129485526
2-[2-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 129485679
2-methoxy-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129351165
2-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129486314
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(4-chlorophenoxy)ethanone
CID 114781317
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-pyridin-3-ylethanone
CID 129485565
1-[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 128989897
[2,2-dimethyl-6-(phenoxymethyl)morpholin-4-yl]-(5-methyl-2H-triazol-4-yl)methanone
CID 128978986
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methyl-1-benzofuran-3-yl)ethanone
CID 129351192
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone
CID 129484445
1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone
CID 129484446

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone (CID 129485528) is 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone is COC[C@@H]1CN(C(=O)COc2ccccc2)CC(C)(C)O1.
What is the InChIKey of 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone?
The InChIKey is GOIYZCXGRMODNW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23NO4/c1-16(2)12-17(9-14(21-16)10-19-3)15(18)11-20-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone?
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone has a molecular weight of 293.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone is sourced from PubChem (CID 129485528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).