2-(2,2-dimethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanone

C17H25NO2 — CID 43797424

IUPAC2-(2,2-dimethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN2CCOC(C)(C)C2)c(C)c1
InChIInChI=1S/C17H25NO2/c1-12-8-13(2)16(14(3)9-12)15(19)10-18-6-7-20-17(4,5)11-18/h8-9H,6-7,10-11H2,1-5H3
InChIKeyXRCXVCWUOOFUPV-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.91
Rot. Bonds3

About 2-(2,2-dimethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanone

2-(2,2-dimethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 43797424) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID43797424
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN2CCOC(C)(C)C2)c(C)c1
InChIInChI=1S/C17H25NO2/c1-12-8-13(2)16(14(3)9-12)15(19)10-18-6-7-20-17(4,5)11-18/h8-9H,6-7,10-11H2,1-5H3
InChIKeyXRCXVCWUOOFUPV-UHFFFAOYSA-N
XLogP2.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
CID 43797360
2-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)ethanone
CID 43797387
2-(azocan-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 43219868
1-(2,5-dichlorothiophen-3-yl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
CID 43797361
2-(4-hydroxy-4-methylazepan-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 107405306
4-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]piperazine-1-carbaldehyde
CID 94283320
2-(2,2-dimethylmorpholin-4-yl)-1-piperidin-1-ylethanone
CID 70907050
ethyl 4-(2,2-dimethylmorpholin-4-yl)-3-oxobutanoate
CID 63898681
1-(4-methoxy-2,6-dimethylphenyl)-2-morpholin-4-ylethanone
CID 82053018
2-(1,4-diazepan-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 62036993
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115560594
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone
CID 64597172

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanone (CID 43797424) is 2-(2,2-dimethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CN2CCOC(C)(C)C2)c(C)c1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is XRCXVCWUOOFUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-8-13(2)16(14(3)9-12)15(19)10-18-6-7-20-17(4,5)11-18/h8-9H,6-7,10-11H2,1-5H3.
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanone?
2-(2,2-dimethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 275.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 43797424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).