1-(2,6-dimethylmorpholin-4-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one

C18H27NO5 — CID 24818299

IUPAC1-(2,6-dimethylmorpholin-4-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
SMILESCOc1cc(CCC(=O)N2CC(C)OC(C)C2)cc(OC)c1OC
InChIInChI=1S/C18H27NO5/c1-12-10-19(11-13(2)24-12)17(20)7-6-14-8-15(21-3)18(23-5)16(9-14)22-4/h8-9,12-13H,6-7,10-11H2,1-5H3
InChIKeyJUOWIZJENHMFIN-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.28
Rot. Bonds6

About 1-(2,6-dimethylmorpholin-4-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one

1-(2,6-dimethylmorpholin-4-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one (PubChem CID 24818299) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
PubChem CID24818299
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
SMILESCOc1cc(CCC(=O)N2CC(C)OC(C)C2)cc(OC)c1OC
InChIInChI=1S/C18H27NO5/c1-12-10-19(11-13(2)24-12)17(20)7-6-14-8-15(21-3)18(23-5)16(9-14)22-4/h8-9,12-13H,6-7,10-11H2,1-5H3
InChIKeyJUOWIZJENHMFIN-UHFFFAOYSA-N
XLogP2.28
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one (CID 24818299) is 1-(2,6-dimethylmorpholin-4-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one is COc1cc(CCC(=O)N2CC(C)OC(C)C2)cc(OC)c1OC.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one?
The InChIKey is JUOWIZJENHMFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO5/c1-12-10-19(11-13(2)24-12)17(20)7-6-14-8-15(21-3)18(23-5)16(9-14)22-4/h8-9,12-13H,6-7,10-11H2,1-5H3.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one?
1-(2,6-dimethylmorpholin-4-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one has a molecular weight of 337.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one is sourced from PubChem (CID 24818299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).