1-(2,2-dimethylmorpholin-4-yl)-2-phenoxy-2-phenylethanone

C20H23NO3 — CID 55763984

IUPAC1-(2,2-dimethylmorpholin-4-yl)-2-phenoxy-2-phenylethanone
SMILESCC1(C)CN(C(=O)C(Oc2ccccc2)c2ccccc2)CCO1
InChIInChI=1S/C20H23NO3/c1-20(2)15-21(13-14-23-20)19(22)18(16-9-5-3-6-10-16)24-17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3
InChIKeyKFBRRUCOEOEIGN-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.44
Rot. Bonds4

About 1-(2,2-dimethylmorpholin-4-yl)-2-phenoxy-2-phenylethanone

1-(2,2-dimethylmorpholin-4-yl)-2-phenoxy-2-phenylethanone (PubChem CID 55763984) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-(2,2-dimethylmorpholin-4-yl)-2-phenoxy-2-phenylethanone.

Molecular Properties

Compound Name1-(2,2-dimethylmorpholin-4-yl)-2-phenoxy-2-phenylethanone
PubChem CID55763984
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name1-(2,2-dimethylmorpholin-4-yl)-2-phenoxy-2-phenylethanone
SMILESCC1(C)CN(C(=O)C(Oc2ccccc2)c2ccccc2)CCO1
InChIInChI=1S/C20H23NO3/c1-20(2)15-21(13-14-23-20)19(22)18(16-9-5-3-6-10-16)24-17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3
InChIKeyKFBRRUCOEOEIGN-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(2-phenoxy-2-phenylacetyl)pyrrolidine-3-carboxylic acid
CID 119256533
1-(2,2-dimethylmorpholin-4-yl)-2-(3-propan-2-ylphenoxy)propan-1-one
CID 55796284
(2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-phenylacetic acid
CID 61202574
3-(2,2-dimethylmorpholin-4-yl)-N'-hydroxy-3-oxo-2-phenylpropanimidamide
CID 76975476
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119294272
4-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethoxy]benzamide
CID 8639436
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one
CID 104983964
1-(3-methylpiperazin-1-yl)-2-phenoxy-2-phenylethanone
CID 119578300
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 51210306
2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61202030
2-phenoxy-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanone
CID 138992541

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-2-phenoxy-2-phenylethanone?
The IUPAC name of 1-(2,2-dimethylmorpholin-4-yl)-2-phenoxy-2-phenylethanone (CID 55763984) is 1-(2,2-dimethylmorpholin-4-yl)-2-phenoxy-2-phenylethanone.
What is the SMILES notation for 1-(2,2-dimethylmorpholin-4-yl)-2-phenoxy-2-phenylethanone?
The canonical SMILES for 1-(2,2-dimethylmorpholin-4-yl)-2-phenoxy-2-phenylethanone is CC1(C)CN(C(=O)C(Oc2ccccc2)c2ccccc2)CCO1.
What is the InChIKey of 1-(2,2-dimethylmorpholin-4-yl)-2-phenoxy-2-phenylethanone?
The InChIKey is KFBRRUCOEOEIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-20(2)15-21(13-14-23-20)19(22)18(16-9-5-3-6-10-16)24-17-11-7-4-8-12-17/h3-12,18H,13-15H2,1-2H3.
What are the key properties of 1-(2,2-dimethylmorpholin-4-yl)-2-phenoxy-2-phenylethanone?
1-(2,2-dimethylmorpholin-4-yl)-2-phenoxy-2-phenylethanone has a molecular weight of 325.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylmorpholin-4-yl)-2-phenoxy-2-phenylethanone is sourced from PubChem (CID 55763984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).