[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate

C20H21NO7 — CID 2481125

IUPAC[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)COC(=O)CNC(=O)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C20H21NO7/c1-25-15-6-4-13(5-7-15)18(22)12-28-19(23)11-21-20(24)14-8-16(26-2)10-17(9-14)27-3/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyBQOWPDMIEFKZRN-UHFFFAOYSA-N
MW387.39 g/mol
LogP1.87
Rot. Bonds9

About [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate

[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate (PubChem CID 2481125) has the molecular formula C20H21NO7 and a molecular weight of 387.39 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
PubChem CID2481125
Molecular FormulaC20H21NO7
Molecular Weight387.39 g/mol
Exact Mass387.13
IUPAC Name[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)COC(=O)CNC(=O)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C20H21NO7/c1-25-15-6-4-13(5-7-15)18(22)12-28-19(23)11-21-20(24)14-8-16(26-2)10-17(9-14)27-3/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyBQOWPDMIEFKZRN-UHFFFAOYSA-N
XLogP1.87
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The IUPAC name of [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate (CID 2481125) is [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate is COc1ccc(C(=O)COC(=O)CNC(=O)c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
The InChIKey is BQOWPDMIEFKZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO7/c1-25-15-6-4-13(5-7-15)18(22)12-28-19(23)11-21-20(24)14-8-16(26-2)10-17(9-14)27-3/h4-10H,11-12H2,1-3H3,(H,21,24).
What are the key properties of [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate?
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate has a molecular weight of 387.39 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-2-oxoethyl] 2-[(3,5-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 2481125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).