1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone

C20H23NO3 — CID 27233616

IUPAC1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone
SMILESC[C@H]1CN(C(=O)COc2ccc(-c3ccccc3)cc2)C[C@H](C)O1
InChIInChI=1S/C20H23NO3/c1-15-12-21(13-16(2)24-15)20(22)14-23-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,15-16H,12-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyJLJIRHITEJQGGN-HOTGVXAUSA-N
MW325.41 g/mol
LogP3.37
Rot. Bonds4

About 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone

1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone (PubChem CID 27233616) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone.

Molecular Properties

Compound Name1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone
PubChem CID27233616
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone
SMILESC[C@H]1CN(C(=O)COc2ccc(-c3ccccc3)cc2)C[C@H](C)O1
InChIInChI=1S/C20H23NO3/c1-15-12-21(13-16(2)24-15)20(22)14-23-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,15-16H,12-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyJLJIRHITEJQGGN-HOTGVXAUSA-N
XLogP3.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone
CID 42964480
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]ethanone
CID 119055388
1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
CID 47914743
1-(2,6-dimethylmorpholin-4-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 25236981
1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone
CID 102937749
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone
CID 36701987
1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 754225
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 7556262
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenyl)ethanone
CID 973340
7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-phenylchromen-4-one
CID 41091483
4-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethoxy]benzamide
CID 95138688
1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone
CID 110644156

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone?
The IUPAC name of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone (CID 27233616) is 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone.
What is the SMILES notation for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone?
The canonical SMILES for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone is C[C@H]1CN(C(=O)COc2ccc(-c3ccccc3)cc2)C[C@H](C)O1.
What is the InChIKey of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone?
The InChIKey is JLJIRHITEJQGGN-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15-12-21(13-16(2)24-15)20(22)14-23-19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,15-16H,12-14H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone?
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone has a molecular weight of 325.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone is sourced from PubChem (CID 27233616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).