methyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate

C18H16INO6 — CID 71822939

IUPACmethyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)COc2ccc(I)cc2)cc1
InChIInChI=1S/C18H16INO6/c1-24-18(23)12-2-6-14(7-3-12)20-16(21)10-26-17(22)11-25-15-8-4-13(19)5-9-15/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyVMDFGSBQNYXXKH-UHFFFAOYSA-N
MW469.23 g/mol
LogP2.64
Rot. Bonds7

About methyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate

methyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate (PubChem CID 71822939) has the molecular formula C18H16INO6 and a molecular weight of 469.23 g/mol. Its IUPAC name is methyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate
PubChem CID71822939
Molecular FormulaC18H16INO6
Molecular Weight469.23 g/mol
Exact Mass469.00
IUPAC Namemethyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COC(=O)COc2ccc(I)cc2)cc1
InChIInChI=1S/C18H16INO6/c1-24-18(23)12-2-6-14(7-3-12)20-16(21)10-26-17(22)11-25-15-8-4-13(19)5-9-15/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyVMDFGSBQNYXXKH-UHFFFAOYSA-N
XLogP2.64
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.23
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7855555
[2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate
CID 55327028
[2-(4-iodoanilino)-2-oxoethyl] 2-methoxyacetate
CID 8018922
methyl 4-[[2-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]oxyacetyl]amino]benzoate
CID 7235156
[2-(4-acetamidoanilino)-2-oxoethyl] 4-iodobenzoate
CID 2505523
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7606394
[2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326799
4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide
CID 9076385
methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 710358
propan-2-yl 4-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7750523
methyl 4-[[2-(3-iodophenoxy)acetyl]amino]benzoate
CID 7694499
methyl 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]benzoate
CID 7128255

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate (CID 71822939) is methyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COC(=O)COc2ccc(I)cc2)cc1.
What is the InChIKey of methyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate?
The InChIKey is VMDFGSBQNYXXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16INO6/c1-24-18(23)12-2-6-14(7-3-12)20-16(21)10-26-17(22)11-25-15-8-4-13(19)5-9-15/h2-9H,10-11H2,1H3,(H,20,21).
What are the key properties of methyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate?
methyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate has a molecular weight of 469.23 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[2-(4-iodophenoxy)acetyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 71822939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).