[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate

C19H26N2O7 — CID 3404974

IUPAC[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)N2CC(C)OC(C)C2)cc1OC
InChIInChI=1S/C19H26N2O7/c1-12-9-21(10-13(2)28-12)17(22)11-27-18(23)8-20-19(24)14-5-6-15(25-3)16(7-14)26-4/h5-7,12-13H,8-11H2,1-4H3,(H,20,24)
InChIKeyABFLCXXJEITOGZ-UHFFFAOYSA-N
MW394.42 g/mol
LogP0.61
Rot. Bonds7

About [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate

[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate (PubChem CID 3404974) has the molecular formula C19H26N2O7 and a molecular weight of 394.42 g/mol. Its IUPAC name is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
PubChem CID3404974
Molecular FormulaC19H26N2O7
Molecular Weight394.42 g/mol
Exact Mass394.17
IUPAC Name[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCC(=O)N2CC(C)OC(C)C2)cc1OC
InChIInChI=1S/C19H26N2O7/c1-12-9-21(10-13(2)28-12)17(22)11-27-18(23)8-20-19(24)14-5-6-15(25-3)16(7-14)26-4/h5-7,12-13H,8-11H2,1-4H3,(H,20,24)
InChIKeyABFLCXXJEITOGZ-UHFFFAOYSA-N
XLogP0.61
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The IUPAC name of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate (CID 3404974) is [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OCC(=O)N2CC(C)OC(C)C2)cc1OC.
What is the InChIKey of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The InChIKey is ABFLCXXJEITOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O7/c1-12-9-21(10-13(2)28-12)17(22)11-27-18(23)8-20-19(24)14-5-6-15(25-3)16(7-14)26-4/h5-7,12-13H,8-11H2,1-4H3,(H,20,24).
What are the key properties of [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate?
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate has a molecular weight of 394.42 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 3404974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).