[2-(4-aminophenoxy)-2-oxoethyl] 2-[2-[2-[2-(4-aminophenoxy)-2-oxoethoxy]-2-oxoethoxy]ethoxy]acetate

C22H24N2O10 — CID 124783567

IUPAC[2-(4-aminophenoxy)-2-oxoethyl] 2-[2-[2-[2-(4-aminophenoxy)-2-oxoethoxy]-2-oxoethoxy]ethoxy]acetate
SMILESNc1ccc(OC(=O)COC(=O)COCCOCC(=O)OCC(=O)Oc2ccc(N)cc2)cc1
InChIInChI=1S/C22H24N2O10/c23-15-1-5-17(6-2-15)33-21(27)13-31-19(25)11-29-9-10-30-12-20(26)32-14-22(28)34-18-7-3-16(24)4-8-18/h1-8H,9-14,23-24H2
InChIKeyABKRDQYAAPENES-UHFFFAOYSA-N
MW476.44 g/mol
LogP0.48
Rot. Bonds13

About [2-(4-aminophenoxy)-2-oxoethyl] 2-[2-[2-[2-(4-aminophenoxy)-2-oxoethoxy]-2-oxoethoxy]ethoxy]acetate

[2-(4-aminophenoxy)-2-oxoethyl] 2-[2-[2-[2-(4-aminophenoxy)-2-oxoethoxy]-2-oxoethoxy]ethoxy]acetate (PubChem CID 124783567) has the molecular formula C22H24N2O10 and a molecular weight of 476.44 g/mol. Its IUPAC name is [2-(4-aminophenoxy)-2-oxoethyl] 2-[2-[2-[2-(4-aminophenoxy)-2-oxoethoxy]-2-oxoethoxy]ethoxy]acetate.

Molecular Properties

Compound Name[2-(4-aminophenoxy)-2-oxoethyl] 2-[2-[2-[2-(4-aminophenoxy)-2-oxoethoxy]-2-oxoethoxy]ethoxy]acetate
PubChem CID124783567
Molecular FormulaC22H24N2O10
Molecular Weight476.44 g/mol
Exact Mass476.14
IUPAC Name[2-(4-aminophenoxy)-2-oxoethyl] 2-[2-[2-[2-(4-aminophenoxy)-2-oxoethoxy]-2-oxoethoxy]ethoxy]acetate
SMILESNc1ccc(OC(=O)COC(=O)COCCOCC(=O)OCC(=O)Oc2ccc(N)cc2)cc1
InChIInChI=1S/C22H24N2O10/c23-15-1-5-17(6-2-15)33-21(27)13-31-19(25)11-29-9-10-30-12-20(26)32-14-22(28)34-18-7-3-16(24)4-8-18/h1-8H,9-14,23-24H2
InChIKeyABKRDQYAAPENES-UHFFFAOYSA-N
XLogP0.48
TPSA175.70 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.44
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-(4-aminophenoxy)-2-oxoethyl] 2-[2-[2-[2-(4-aminophenoxy)-2-oxoethoxy]-2-oxoethoxy]ethoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-aminophenoxy)-2-oxoethyl] 2-[2-[2-[2-(4-aminophenoxy)-2-oxoethoxy]-2-oxoethoxy]ethoxy]acetate?
The IUPAC name of [2-(4-aminophenoxy)-2-oxoethyl] 2-[2-[2-[2-(4-aminophenoxy)-2-oxoethoxy]-2-oxoethoxy]ethoxy]acetate (CID 124783567) is [2-(4-aminophenoxy)-2-oxoethyl] 2-[2-[2-[2-(4-aminophenoxy)-2-oxoethoxy]-2-oxoethoxy]ethoxy]acetate.
What is the SMILES notation for [2-(4-aminophenoxy)-2-oxoethyl] 2-[2-[2-[2-(4-aminophenoxy)-2-oxoethoxy]-2-oxoethoxy]ethoxy]acetate?
The canonical SMILES for [2-(4-aminophenoxy)-2-oxoethyl] 2-[2-[2-[2-(4-aminophenoxy)-2-oxoethoxy]-2-oxoethoxy]ethoxy]acetate is Nc1ccc(OC(=O)COC(=O)COCCOCC(=O)OCC(=O)Oc2ccc(N)cc2)cc1.
What is the InChIKey of [2-(4-aminophenoxy)-2-oxoethyl] 2-[2-[2-[2-(4-aminophenoxy)-2-oxoethoxy]-2-oxoethoxy]ethoxy]acetate?
The InChIKey is ABKRDQYAAPENES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O10/c23-15-1-5-17(6-2-15)33-21(27)13-31-19(25)11-29-9-10-30-12-20(26)32-14-22(28)34-18-7-3-16(24)4-8-18/h1-8H,9-14,23-24H2.
What are the key properties of [2-(4-aminophenoxy)-2-oxoethyl] 2-[2-[2-[2-(4-aminophenoxy)-2-oxoethoxy]-2-oxoethoxy]ethoxy]acetate?
[2-(4-aminophenoxy)-2-oxoethyl] 2-[2-[2-[2-(4-aminophenoxy)-2-oxoethoxy]-2-oxoethoxy]ethoxy]acetate has a molecular weight of 476.44 g/mol, XLogP of 0.48, 13 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-aminophenoxy)-2-oxoethyl] 2-[2-[2-[2-(4-aminophenoxy)-2-oxoethoxy]-2-oxoethoxy]ethoxy]acetate is sourced from PubChem (CID 124783567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).