[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate

C20H23NO6 — CID 8913578

IUPAC[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccc(CCNC(=O)COC(=O)COc2ccccc2OC)cc1
InChIInChI=1S/C20H23NO6/c1-24-16-9-7-15(8-10-16)11-12-21-19(22)13-27-20(23)14-26-18-6-4-3-5-17(18)25-2/h3-10H,11-14H2,1-2H3,(H,21,22)
InChIKeyBYLCNSKSNWJJRS-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.98
Rot. Bonds10

About [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate (PubChem CID 8913578) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
PubChem CID8913578
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
SMILESCOc1ccc(CCNC(=O)COC(=O)COc2ccccc2OC)cc1
InChIInChI=1S/C20H23NO6/c1-24-16-9-7-15(8-10-16)11-12-21-19(22)13-27-20(23)14-26-18-6-4-3-5-17(18)25-2/h3-10H,11-14H2,1-2H3,(H,21,22)
InChIKeyBYLCNSKSNWJJRS-UHFFFAOYSA-N
XLogP1.98
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-tert-butylphenoxy)acetate
CID 8700972
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-phenylphenoxy)acetate
CID 9140643
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846555
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524322
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9140053
N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 748766
2-(2-bromophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7847687
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3,3-diphenylpropanoate
CID 8752538
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140316
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 40692952
2-(2-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7658830

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate (CID 8913578) is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate.
What is the SMILES notation for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The canonical SMILES for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate is COc1ccc(CCNC(=O)COC(=O)COc2ccccc2OC)cc1.
What is the InChIKey of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
The InChIKey is BYLCNSKSNWJJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-24-16-9-7-15(8-10-16)11-12-21-19(22)13-27-20(23)14-26-18-6-4-3-5-17(18)25-2/h3-10H,11-14H2,1-2H3,(H,21,22).
What are the key properties of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate?
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate has a molecular weight of 373.41 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate is sourced from PubChem (CID 8913578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).