[2-[2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate

C24H28N2O8 — CID 24981931

IUPAC[2-[2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)NCCNC(=O)COC(=O)COc1ccccc1C
InChIInChI=1S/C24H28N2O8/c1-17-7-3-5-9-19(17)31-15-23(29)33-13-21(27)25-11-12-26-22(28)14-34-24(30)16-32-20-10-6-4-8-18(20)2/h3-10H,11-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyLKFPIUVXSNUCHA-UHFFFAOYSA-N
MW472.49 g/mol
LogP1.08
Rot. Bonds13

About [2-[2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate

[2-[2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate (PubChem CID 24981931) has the molecular formula C24H28N2O8 and a molecular weight of 472.49 g/mol. Its IUPAC name is [2-[2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
PubChem CID24981931
Molecular FormulaC24H28N2O8
Molecular Weight472.49 g/mol
Exact Mass472.18
IUPAC Name[2-[2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
SMILESCc1ccccc1OCC(=O)OCC(=O)NCCNC(=O)COC(=O)COc1ccccc1C
InChIInChI=1S/C24H28N2O8/c1-17-7-3-5-9-19(17)31-15-23(29)33-13-21(27)25-11-12-26-22(28)14-34-24(30)16-32-20-10-6-4-8-18(20)2/h3-10H,11-16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyLKFPIUVXSNUCHA-UHFFFAOYSA-N
XLogP1.08
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.49
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The IUPAC name of [2-[2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate (CID 24981931) is [2-[2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate.
What is the SMILES notation for [2-[2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The canonical SMILES for [2-[2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate is Cc1ccccc1OCC(=O)OCC(=O)NCCNC(=O)COC(=O)COc1ccccc1C.
What is the InChIKey of [2-[2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate?
The InChIKey is LKFPIUVXSNUCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O8/c1-17-7-3-5-9-19(17)31-15-23(29)33-13-21(27)25-11-12-26-22(28)14-34-24(30)16-32-20-10-6-4-8-18(20)2/h3-10H,11-16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of [2-[2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate?
[2-[2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate has a molecular weight of 472.49 g/mol, XLogP of 1.08, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[[2-[2-(2-methylphenoxy)acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate is sourced from PubChem (CID 24981931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).