[2-(4-iodoanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate

C19H20INO5 — CID 16535303

IUPAC[2-(4-iodoanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
SMILESCCOc1ccc(OCCC(=O)OCC(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C19H20INO5/c1-2-24-16-7-9-17(10-8-16)25-12-11-19(23)26-13-18(22)21-15-5-3-14(20)4-6-15/h3-10H,2,11-13H2,1H3,(H,21,22)
InChIKeyHNBVMCXHRQQXDP-UHFFFAOYSA-N
MW469.28 g/mol
LogP3.64
Rot. Bonds9

About [2-(4-iodoanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate

[2-(4-iodoanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate (PubChem CID 16535303) has the molecular formula C19H20INO5 and a molecular weight of 469.28 g/mol. Its IUPAC name is [2-(4-iodoanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate.

Molecular Properties

Compound Name[2-(4-iodoanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
PubChem CID16535303
Molecular FormulaC19H20INO5
Molecular Weight469.28 g/mol
Exact Mass469.04
IUPAC Name[2-(4-iodoanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
SMILESCCOc1ccc(OCCC(=O)OCC(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C19H20INO5/c1-2-24-16-7-9-17(10-8-16)25-12-11-19(23)26-13-18(22)21-15-5-3-14(20)4-6-15/h3-10H,2,11-13H2,1H3,(H,21,22)
InChIKeyHNBVMCXHRQQXDP-UHFFFAOYSA-N
XLogP3.64
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 29378856
[2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535326
[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139564
[2-(4-methylanilino)-2-oxoethyl] 2-(4-iodophenoxy)acetate
CID 55327028
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16571065
[2-(4-bromoanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2358586
[2-(4-iodoanilino)-2-oxoethyl] 4-oxopentanoate
CID 8626099
[2-(4-methoxyanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 9329071
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535255
3-(4-aminophenoxy)-N-(4-iodophenyl)propanamide
CID 61094942
[2-(4-fluoroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856024
[2-(4-methoxyanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133149

Frequently Asked Questions

What is the IUPAC name of [2-(4-iodoanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
The IUPAC name of [2-(4-iodoanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate (CID 16535303) is [2-(4-iodoanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate.
What is the SMILES notation for [2-(4-iodoanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
The canonical SMILES for [2-(4-iodoanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate is CCOc1ccc(OCCC(=O)OCC(=O)Nc2ccc(I)cc2)cc1.
What is the InChIKey of [2-(4-iodoanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
The InChIKey is HNBVMCXHRQQXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20INO5/c1-2-24-16-7-9-17(10-8-16)25-12-11-19(23)26-13-18(22)21-15-5-3-14(20)4-6-15/h3-10H,2,11-13H2,1H3,(H,21,22).
What are the key properties of [2-(4-iodoanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate?
[2-(4-iodoanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate has a molecular weight of 469.28 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-iodoanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate is sourced from PubChem (CID 16535303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).