[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate

C19H27NO7 — CID 55316324

IUPAC[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate
SMILESCOc1cc(OC)c(C(=O)OC(C)C(=O)N2CC(C)OC(C)C2)cc1OC
InChIInChI=1S/C19H27NO7/c1-11-9-20(10-12(2)26-11)18(21)13(3)27-19(22)14-7-16(24-5)17(25-6)8-15(14)23-4/h7-8,11-13H,9-10H2,1-6H3
InChIKeyMJCNVKMXQLMPAI-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.89
Rot. Bonds6

About [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate

[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate (PubChem CID 55316324) has the molecular formula C19H27NO7 and a molecular weight of 381.43 g/mol. Its IUPAC name is [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate
PubChem CID55316324
Molecular FormulaC19H27NO7
Molecular Weight381.43 g/mol
Exact Mass381.18
IUPAC Name[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate
SMILESCOc1cc(OC)c(C(=O)OC(C)C(=O)N2CC(C)OC(C)C2)cc1OC
InChIInChI=1S/C19H27NO7/c1-11-9-20(10-12(2)26-11)18(21)13(3)27-19(22)14-7-16(24-5)17(25-6)8-15(14)23-4/h7-8,11-13H,9-10H2,1-6H3
InChIKeyMJCNVKMXQLMPAI-UHFFFAOYSA-N
XLogP1.89
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27232905
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate
CID 55318389
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate
CID 55328388
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4-dichlorobenzoate
CID 55319792
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate
CID 55473720
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2-bromo-5-sulfamoylbenzoate
CID 55322802
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-bromobenzoate
CID 46790142
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 55317184
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxypropan-1-one
CID 103932975
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoate
CID 55373823
[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 4-(dimethylamino)-3-fluorobenzoate
CID 97024014
[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 4-bromo-2,5-dimethylfuran-3-carboxylate
CID 97001576

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate?
The IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate (CID 55316324) is [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate.
What is the SMILES notation for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate?
The canonical SMILES for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate is COc1cc(OC)c(C(=O)OC(C)C(=O)N2CC(C)OC(C)C2)cc1OC.
What is the InChIKey of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate?
The InChIKey is MJCNVKMXQLMPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO7/c1-11-9-20(10-12(2)26-11)18(21)13(3)27-19(22)14-7-16(24-5)17(25-6)8-15(14)23-4/h7-8,11-13H,9-10H2,1-6H3.
What are the key properties of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate?
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate has a molecular weight of 381.43 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate is sourced from PubChem (CID 55316324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).