methyl 2-[[2-(4-iodophenoxy)acetyl]amino]acetate

C11H12INO4 — CID 47102294

IUPACmethyl 2-[[2-(4-iodophenoxy)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)COc1ccc(I)cc1
InChIInChI=1S/C11H12INO4/c1-16-11(15)6-13-10(14)7-17-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyDDKWZAFLTFOIJC-UHFFFAOYSA-N
MW349.12 g/mol
LogP0.96
Rot. Bonds5

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

methyl 2-[[2-(4-iodophenoxy)acetyl]amino]acetate (PubChem CID 47102294) has the molecular formula C11H12INO4 and a molecular weight of 349.12 g/mol. Its IUPAC name is methyl 2-[[2-(4-iodophenoxy)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-iodophenoxy)acetyl]amino]acetate
PubChem CID47102294
Molecular FormulaC11H12INO4
Molecular Weight349.12 g/mol
Exact Mass348.98
IUPAC Namemethyl 2-[[2-(4-iodophenoxy)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)COc1ccc(I)cc1
InChIInChI=1S/C11H12INO4/c1-16-11(15)6-13-10(14)7-17-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyDDKWZAFLTFOIJC-UHFFFAOYSA-N
XLogP0.96
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.12
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[[2-(4-iodophenoxy)acetyl]amino]acetamide
CID 9076404
methyl 2-[[2-(4-carbamothioylphenoxy)acetyl]amino]acetate
CID 24690991
methyl 2-[[2-[2-(4-chlorophenoxy)acetyl]oxyacetyl]amino]acetate
CID 3935127
N-(2-aminoethyl)-2-(4-iodophenoxy)acetamide;hydrochloride
CID 119384507
N-(3-hydroxypropyl)-2-(4-iodophenoxy)acetamide
CID 78798070
2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 7473183
3-[[2-(4-iodophenoxy)acetyl]amino]-2-methylpropanoic acid
CID 119237353
ethyl 2-[[2-(4-aminophenoxy)acetyl]amino]acetate
CID 61102333
N-[(2,4-dimethoxyphenyl)methyl]-2-(4-iodophenoxy)acetamide
CID 55577746
2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid
CID 1288987
1-(4-iodophenoxy)-3,3-dimethylbutan-2-one
CID 60626826
methyl 2-[[2-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]acetyl]amino]acetate
CID 55781621

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-iodophenoxy)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(4-iodophenoxy)acetyl]amino]acetate (CID 47102294) is methyl 2-[[2-(4-iodophenoxy)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(4-iodophenoxy)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(4-iodophenoxy)acetyl]amino]acetate is COC(=O)CNC(=O)COc1ccc(I)cc1.
What is the InChIKey of methyl 2-[[2-(4-iodophenoxy)acetyl]amino]acetate?
The InChIKey is DDKWZAFLTFOIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO4/c1-16-11(15)6-13-10(14)7-17-9-4-2-8(12)3-5-9/h2-5H,6-7H2,1H3,(H,13,14).
What are the key properties of methyl 2-[[2-(4-iodophenoxy)acetyl]amino]acetate?
methyl 2-[[2-(4-iodophenoxy)acetyl]amino]acetate has a molecular weight of 349.12 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-iodophenoxy)acetyl]amino]acetate is sourced from PubChem (CID 47102294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).