1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone

C21H25NO3 — CID 42964480

IUPAC1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone
SMILESCc1ccc(-c2ccc(OCC(=O)N3CC(C)OC(C)C3)cc2)cc1
InChIInChI=1S/C21H25NO3/c1-15-4-6-18(7-5-15)19-8-10-20(11-9-19)24-14-21(23)22-12-16(2)25-17(3)13-22/h4-11,16-17H,12-14H2,1-3H3
InChIKeyFVWGYSNKJMGJMA-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.68
Rot. Bonds4

About 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone

1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone (PubChem CID 42964480) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone
PubChem CID42964480
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone
SMILESCc1ccc(-c2ccc(OCC(=O)N3CC(C)OC(C)C3)cc2)cc1
InChIInChI=1S/C21H25NO3/c1-15-4-6-18(7-5-15)19-8-10-20(11-9-19)24-14-21(23)22-12-16(2)25-17(3)13-22/h4-11,16-17H,12-14H2,1-3H3
InChIKeyFVWGYSNKJMGJMA-UHFFFAOYSA-N
XLogP3.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-phenylphenoxy)ethanone
CID 27233616
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(1-methylpyrazol-4-yl)phenoxy]ethanone
CID 119055388
1-(2,6-dimethylmorpholin-4-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 25236981
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 7556262
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
CID 102934536
2-(1,3-benzodioxol-5-yloxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 17310233
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone
CID 36701987
1-(2,6-dimethylmorpholin-4-yl)-2-pyridin-3-yloxyethanone
CID 110487906
1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
CID 47914743
1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone
CID 102937749
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 5224731

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone (CID 42964480) is 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone is Cc1ccc(-c2ccc(OCC(=O)N3CC(C)OC(C)C3)cc2)cc1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone?
The InChIKey is FVWGYSNKJMGJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-15-4-6-18(7-5-15)19-8-10-20(11-9-19)24-14-21(23)22-12-16(2)25-17(3)13-22/h4-11,16-17H,12-14H2,1-3H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone?
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone has a molecular weight of 339.44 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone is sourced from PubChem (CID 42964480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).