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

C21H25NO7 — CID 27913717

IUPAC[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCCOc1ccc(OCCNC(=O)COC(=O)COc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H25NO7/c1-3-26-17-8-10-18(11-9-17)27-13-12-22-20(23)14-29-21(24)15-28-19-6-4-16(25-2)5-7-19/h4-11H,3,12-15H2,1-2H3,(H,22,23)
InChIKeyJWGPHJOFGOYNRB-UHFFFAOYSA-N
MW403.43 g/mol
LogP2.21
Rot. Bonds12

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

[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (PubChem CID 27913717) has the molecular formula C21H25NO7 and a molecular weight of 403.43 g/mol. Its IUPAC name is [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
PubChem CID27913717
Molecular FormulaC21H25NO7
Molecular Weight403.43 g/mol
Exact Mass403.16
IUPAC Name[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCCOc1ccc(OCCNC(=O)COC(=O)COc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H25NO7/c1-3-26-17-8-10-18(11-9-17)27-13-12-22-20(23)14-29-21(24)15-28-19-6-4-16(25-2)5-7-19/h4-11H,3,12-15H2,1-2H3,(H,22,23)
InChIKeyJWGPHJOFGOYNRB-UHFFFAOYSA-N
XLogP2.21
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27928826
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate
CID 61485546
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-cyclopentylacetate
CID 9202945
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791412
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846555
[2-oxo-2-(pentylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 55402588
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 27928920
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 4-oxo-4-phenylbutanoate
CID 27957877
2-(2-acetyl-5-methoxyphenoxy)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 34061017

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The IUPAC name of [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (CID 27913717) is [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is CCOc1ccc(OCCNC(=O)COC(=O)COc2ccc(OC)cc2)cc1.
What is the InChIKey of [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The InChIKey is JWGPHJOFGOYNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO7/c1-3-26-17-8-10-18(11-9-17)27-13-12-22-20(23)14-29-21(24)15-28-19-6-4-16(25-2)5-7-19/h4-11H,3,12-15H2,1-2H3,(H,22,23).
What are the key properties of [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate has a molecular weight of 403.43 g/mol, XLogP of 2.21, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 27913717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).