N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanamide;1-(4-ethylsulfonylpiperazin-1-yl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-1-one;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(2-methoxyethyl)propanamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(oxolan-2-ylmethyl)propanamide;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylethanone;4-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]butan-2-one

C131H138I13N7O26S — CID 159663115

About N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanamide;1-(4-ethylsulfonylpiperazin-1-yl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-1-one;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(2-methoxyethyl)propanamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(oxolan-2-ylmethyl)propanamide;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylethanone;4-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]butan-2-one

N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanamide;1-(4-ethylsulfonylpiperazin-1-yl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-1-one;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(2-methoxyethyl)propanamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(oxolan-2-ylmethyl)propanamide;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylethanone;4-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]butan-2-one (PubChem CID 159663115) has the molecular formula C131H138I13N7O26S and a molecular weight of 3908.39 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanamide;1-(4-ethylsulfonylpiperazin-1-yl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-1-one;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(2-methoxyethyl)propanamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(oxolan-2-ylmethyl)propanamide;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylethanone;4-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]butan-2-one.

Molecular Properties

• Compound Name: N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanamide;1-(4-ethylsulfonylpiperazin-1-yl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-1-one;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(2-methoxyethyl)propanamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(oxolan-2-ylmethyl)propanamide;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylethanone;4-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]butan-2-one
• PubChem CID: 159663115
• Molecular Formula: C131H138I13N7O26S
• Molecular Weight: 3908.39 g/mol
• Exact Mass: 3906.70
• IUPAC Name: N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanamide;1-(4-ethylsulfonylpiperazin-1-yl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-1-one;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(2-methoxyethyl)propanamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(oxolan-2-ylmethyl)propanamide;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylethanone;4-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]butan-2-one
• SMILES: CC(=O)CCc1cc(C)c(Oc2ccc(O)cc2)c(C)c1.CCOCCNC(=O)CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1.CCS(=O)(=O)N1CCN(C(=O)CCc2cc(I)c(Oc3ccc(O)cc3)c(I)c2)CC1.CN(C)C(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1.COCCNC(=O)CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1.O=C(CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)NCC1CCCO1.O=C(Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)N1CCCCC1
• InChI: InChI=1S/C21H24I2N2O5S.C20H21I2NO4.C19H21I2NO4.C19H19I2NO3.C18H19I2NO4.C18H20O3.C16H14I3NO3/c1-2-31(28,29)25-11-9-24(10-12-25)20(27)8-3-15-13-18(22)21(19(23)14-15)30-17-6-4-16(26)5-7-17;21-17-10-13(3-8-19(25)23-12-16-2-1-9-26-16)11-18(22)20(17)27-15-6-4-14(24)5-7-15;1-2-25-10-9-22-18(24)8-3-13-11-16(20)19(17(21)12-13)26-15-6-4-14(23)5-7-15;20-16-10-13(12-18(24)22-8-2-1-3-9-22)11-17(21)19(16)25-15-6-4-14(23)5-7-15;1-24-9-8-21-17(23)7-2-12-10-15(19)18(16(20)11-12)25-14-5-3-13(22)4-6-14;1-12-10-15(5-4-14(3)19)11-13(2)18(12)21-17-8-6-16(20)7-9-17;1-20(2)15(22)7-9-5-12(18)16(13(19)6-9)23-10-3-4-14(21)11(17)8-10/h4-7,13-14,26H,2-3,8-12H2,1H3;4-7,10-11,16,24H,1-3,8-9,12H2,(H,23,25);4-7,11-12,23H,2-3,8-10H2,1H3,(H,22,24);4-7,10-11,23H,1-3,8-9,12H2;3-6,10-11,22H,2,7-9H2,1H3,(H,21,23);6-11,20H,4-5H2,1-3H3;3-6,8,21H,7H2,1-2H3
• InChIKey: MTBIUTSGDOMPTE-UHFFFAOYSA-N
• XLogP: 30.91
• TPSA: 436.59 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 44
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3908.39
LogP ≤ 5	30.91
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanamide;1-(4-ethylsulfonylpiperazin-1-yl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-1-one;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(2-methoxyethyl)propanamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(oxolan-2-ylmethyl)propanamide;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylethanone;4-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]butan-2-one?

The IUPAC name of N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanamide;1-(4-ethylsulfonylpiperazin-1-yl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-1-one;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(2-methoxyethyl)propanamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(oxolan-2-ylmethyl)propanamide;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylethanone;4-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]butan-2-one (CID 159663115) is N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanamide;1-(4-ethylsulfonylpiperazin-1-yl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-1-one;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(2-methoxyethyl)propanamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(oxolan-2-ylmethyl)propanamide;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylethanone;4-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]butan-2-one.

What is the SMILES notation for N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanamide;1-(4-ethylsulfonylpiperazin-1-yl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-1-one;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(2-methoxyethyl)propanamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(oxolan-2-ylmethyl)propanamide;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylethanone;4-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]butan-2-one?

The canonical SMILES for N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanamide;1-(4-ethylsulfonylpiperazin-1-yl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-1-one;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(2-methoxyethyl)propanamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(oxolan-2-ylmethyl)propanamide;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylethanone;4-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]butan-2-one is CC(=O)CCc1cc(C)c(Oc2ccc(O)cc2)c(C)c1.CCOCCNC(=O)CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1.CCS(=O)(=O)N1CCN(C(=O)CCc2cc(I)c(Oc3ccc(O)cc3)c(I)c2)CC1.CN(C)C(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1.COCCNC(=O)CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1.O=C(CCc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)NCC1CCCO1.O=C(Cc1cc(I)c(Oc2ccc(O)cc2)c(I)c1)N1CCCCC1.

What is the InChIKey of N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanamide;1-(4-ethylsulfonylpiperazin-1-yl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-1-one;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(2-methoxyethyl)propanamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(oxolan-2-ylmethyl)propanamide;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylethanone;4-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]butan-2-one?

The InChIKey is MTBIUTSGDOMPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24I2N2O5S.C20H21I2NO4.C19H21I2NO4.C19H19I2NO3.C18H19I2NO4.C18H20O3.C16H14I3NO3/c1-2-31(28,29)25-11-9-24(10-12-25)20(27)8-3-15-13-18(22)21(19(23)14-15)30-17-6-4-16(26)5-7-17;21-17-10-13(3-8-19(25)23-12-16-2-1-9-26-16)11-18(22)20(17)27-15-6-4-14(24)5-7-15;1-2-25-10-9-22-18(24)8-3-13-11-16(20)19(17(21)12-13)26-15-6-4-14(23)5-7-15;20-16-10-13(12-18(24)22-8-2-1-3-9-22)11-17(21)19(16)25-15-6-4-14(23)5-7-15;1-24-9-8-21-17(23)7-2-12-10-15(19)18(16(20)11-12)25-14-5-3-13(22)4-6-14;1-12-10-15(5-4-14(3)19)11-13(2)18(12)21-17-8-6-16(20)7-9-17;1-20(2)15(22)7-9-5-12(18)16(13(19)6-9)23-10-3-4-14(21)11(17)8-10/h4-7,13-14,26H,2-3,8-12H2,1H3;4-7,10-11,16,24H,1-3,8-9,12H2,(H,23,25);4-7,11-12,23H,2-3,8-10H2,1H3,(H,22,24);4-7,10-11,23H,1-3,8-9,12H2;3-6,10-11,22H,2,7-9H2,1H3,(H,21,23);6-11,20H,4-5H2,1-3H3;3-6,8,21H,7H2,1-2H3.

What are the key properties of N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanamide;1-(4-ethylsulfonylpiperazin-1-yl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-1-one;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(2-methoxyethyl)propanamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(oxolan-2-ylmethyl)propanamide;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylethanone;4-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]butan-2-one?

N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanamide;1-(4-ethylsulfonylpiperazin-1-yl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-1-one;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(2-methoxyethyl)propanamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(oxolan-2-ylmethyl)propanamide;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylethanone;4-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]butan-2-one has a molecular weight of 3908.39 g/mol, XLogP of 30.91, 44 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanamide;1-(4-ethylsulfonylpiperazin-1-yl)-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propan-1-one;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-N,N-dimethylacetamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(2-methoxyethyl)propanamide;3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-N-(oxolan-2-ylmethyl)propanamide;2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-piperidin-1-ylethanone;4-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]butan-2-one is sourced from PubChem (CID 159663115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).