[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate

C20H28N2O8 — CID 55473720

IUPAC[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)OC(C)C(=O)N2CC(C)OC(C)C2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C20H28N2O8/c1-11-8-22(9-12(2)29-11)19(24)13(3)30-20(25)14-6-15(26-4)18(16(7-14)27-5)28-10-17(21)23/h6-7,11-13H,8-10H2,1-5H3,(H2,21,23)
InChIKeyNISMMYWPQRLZMM-UHFFFAOYSA-N
MW424.45 g/mol
LogP0.75
Rot. Bonds8

About [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate

[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate (PubChem CID 55473720) has the molecular formula C20H28N2O8 and a molecular weight of 424.45 g/mol. Its IUPAC name is [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate.

Molecular Properties

Compound Name[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate
PubChem CID55473720
Molecular FormulaC20H28N2O8
Molecular Weight424.45 g/mol
Exact Mass424.18
IUPAC Name[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate
SMILESCOc1cc(C(=O)OC(C)C(=O)N2CC(C)OC(C)C2)cc(OC)c1OCC(N)=O
InChIInChI=1S/C20H28N2O8/c1-11-8-22(9-12(2)29-11)19(24)13(3)30-20(25)14-6-15(26-4)18(16(7-14)27-5)28-10-17(21)23/h6-7,11-13H,8-10H2,1-5H3,(H2,21,23)
InChIKeyNISMMYWPQRLZMM-UHFFFAOYSA-N
XLogP0.75
TPSA126.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate with MolForge

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Related Compounds

[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2,4,5-trimethoxybenzoate
CID 55316324
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 55317184
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-bromobenzoate
CID 46790142
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoate
CID 55373823
[(2S)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate
CID 98700469
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 3-phenylmethoxybenzoate
CID 55308407
2-[2,6-dimethoxy-4-(3-methylpiperidine-1-carbonyl)phenoxy]acetamide
CID 51265105
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 55308625
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7211081
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 16503173
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(3,4,5-trimethoxyphenyl)methanethione
CID 40963230
[(2R)-1-amino-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 2572150

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate?
The IUPAC name of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate (CID 55473720) is [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate.
What is the SMILES notation for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate?
The canonical SMILES for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate is COc1cc(C(=O)OC(C)C(=O)N2CC(C)OC(C)C2)cc(OC)c1OCC(N)=O.
What is the InChIKey of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate?
The InChIKey is NISMMYWPQRLZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O8/c1-11-8-22(9-12(2)29-11)19(24)13(3)30-20(25)14-6-15(26-4)18(16(7-14)27-5)28-10-17(21)23/h6-7,11-13H,8-10H2,1-5H3,(H2,21,23).
What are the key properties of [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate?
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate has a molecular weight of 424.45 g/mol, XLogP of 0.75, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoate is sourced from PubChem (CID 55473720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).