2-(2,4-dimethoxyphenyl)-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone

C17H25NO4 — CID 95586217

IUPAC2-(2,4-dimethoxyphenyl)-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone
SMILESCOc1ccc(CC(=O)N2C[C@@H](C)OC(C)(C)C2)c(OC)c1
InChIInChI=1S/C17H25NO4/c1-12-10-18(11-17(2,3)22-12)16(19)8-13-6-7-14(20-4)9-15(13)21-5/h6-7,9,12H,8,10-11H2,1-5H3/t12-/m1/s1
InChIKeyOMYGDMIGJFIRPN-GFCCVEGCSA-N
MW307.39 g/mol
LogP2.27
Rot. Bonds4

About 2-(2,4-dimethoxyphenyl)-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone

2-(2,4-dimethoxyphenyl)-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone (PubChem CID 95586217) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone
PubChem CID95586217
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name2-(2,4-dimethoxyphenyl)-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone
SMILESCOc1ccc(CC(=O)N2C[C@@H](C)OC(C)(C)C2)c(OC)c1
InChIInChI=1S/C17H25NO4/c1-12-10-18(11-17(2,3)22-12)16(19)8-13-6-7-14(20-4)9-15(13)21-5/h6-7,9,12H,8,10-11H2,1-5H3/t12-/m1/s1
InChIKeyOMYGDMIGJFIRPN-GFCCVEGCSA-N
XLogP2.27
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethoxyphenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727352
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone
CID 114778686
5-methoxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol
CID 82978872
2-(4-bromophenoxy)-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 48688350
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(2,4-dimethoxyphenyl)ethanone
CID 110806584
2-(2,4-dimethoxyphenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 110767883
2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 51072972
2-[methoxy(methyl)amino]-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 166255971
2-(2,4-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18104397
2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 131155747
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]propan-1-one
CID 52521306
2-(5-methoxy-1H-indol-3-yl)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129485500

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone (CID 95586217) is 2-(2,4-dimethoxyphenyl)-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone is COc1ccc(CC(=O)N2C[C@@H](C)OC(C)(C)C2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone?
The InChIKey is OMYGDMIGJFIRPN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H25NO4/c1-12-10-18(11-17(2,3)22-12)16(19)8-13-6-7-14(20-4)9-15(13)21-5/h6-7,9,12H,8,10-11H2,1-5H3/t12-/m1/s1.
What are the key properties of 2-(2,4-dimethoxyphenyl)-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone?
2-(2,4-dimethoxyphenyl)-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone has a molecular weight of 307.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 95586217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).