(E)-3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhex-2-enamide;(E)-3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hex-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-iodo-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;dihydrochloride

C128H155Cl2F3IN11O13 — CID 159592103

About (E)-3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhex-2-enamide;(E)-3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hex-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-iodo-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;dihydrochloride

(E)-3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhex-2-enamide;(E)-3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hex-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-iodo-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;dihydrochloride (PubChem CID 159592103) has the molecular formula C128H155Cl2F3IN11O13 and a molecular weight of 2310.52 g/mol. Its IUPAC name is (E)-3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhex-2-enamide;(E)-3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hex-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-iodo-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;dihydrochloride.

Molecular Properties

• Compound Name: (E)-3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhex-2-enamide;(E)-3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hex-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-iodo-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;dihydrochloride
• PubChem CID: 159592103
• Molecular Formula: C128H155Cl2F3IN11O13
• Molecular Weight: 2310.52 g/mol
• Exact Mass: 2308.02
• IUPAC Name: (E)-3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhex-2-enamide;(E)-3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hex-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-iodo-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;dihydrochloride
• SMILES: CC(C)(C)c1ccc(/C(=C/C(=O)Nc2ccc3[nH]ccc3c2)CCCn2ccnc2)cc1.CC(C)(C)c1ccc(/C(=C/C(=O)Nc2ccc3c(c2)OCCO3)CCCN2CCCCC2)cc1.CCN(CC)CCC/C(=C\C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.CCNCCC/C(=C\C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.Cl.Cl.O=C(/C=C(\I)c1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C29H38N2O3.C28H38N2O3.C27H30N4O.C26H34N2O3.C18H13F3INO3.2ClH/c1-29(2,3)24-11-9-22(10-12-24)23(8-7-17-31-15-5-4-6-16-31)20-28(32)30-25-13-14-26-27(21-25)34-19-18-33-26;1-6-30(7-2)16-8-9-22(21-10-12-23(13-11-21)28(3,4)5)19-27(31)29-24-14-15-25-26(20-24)33-18-17-32-25;1-27(2,3)23-8-6-20(7-9-23)21(5-4-15-31-16-14-28-19-31)18-26(32)30-24-10-11-25-22(17-24)12-13-29-25;1-5-27-14-6-7-20(19-8-10-21(11-9-19)26(2,3)4)17-25(29)28-22-12-13-23-24(18-22)31-16-15-30-23;19-18(20,21)12-3-1-11(2-4-12)14(22)10-17(24)23-13-5-6-15-16(9-13)26-8-7-25-15;;/h9-14,20-21H,4-8,15-19H2,1-3H3,(H,30,32);10-15,19-20H,6-9,16-18H2,1-5H3,(H,29,31);6-14,16-19,29H,4-5,15H2,1-3H3,(H,30,32);8-13,17-18,27H,5-7,14-16H2,1-4H3,(H,28,29);1-6,9-10H,7-8H2,(H,23,24);2*1H/b23-20+;22-19+;21-18+;20-17+;14-10-
• InChIKey: ZELYJBPYSCEMIN-ZMGOANIDSA-N
• XLogP: 29.01
• TPSA: 271.46 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 34
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2310.52
LogP ≤ 5	29.01
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhex-2-enamide;(E)-3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hex-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-iodo-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;dihydrochloride?

The IUPAC name of (E)-3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhex-2-enamide;(E)-3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hex-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-iodo-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;dihydrochloride (CID 159592103) is (E)-3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhex-2-enamide;(E)-3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hex-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-iodo-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;dihydrochloride.

What is the SMILES notation for (E)-3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhex-2-enamide;(E)-3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hex-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-iodo-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;dihydrochloride?

The canonical SMILES for (E)-3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhex-2-enamide;(E)-3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hex-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-iodo-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;dihydrochloride is CC(C)(C)c1ccc(/C(=C/C(=O)Nc2ccc3[nH]ccc3c2)CCCn2ccnc2)cc1.CC(C)(C)c1ccc(/C(=C/C(=O)Nc2ccc3c(c2)OCCO3)CCCN2CCCCC2)cc1.CCN(CC)CCC/C(=C\C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.CCNCCC/C(=C\C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1.Cl.Cl.O=C(/C=C(\I)c1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)OCCO2.

What is the InChIKey of (E)-3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhex-2-enamide;(E)-3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hex-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-iodo-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;dihydrochloride?

The InChIKey is ZELYJBPYSCEMIN-ZMGOANIDSA-N. The full InChI is InChI=1S/C29H38N2O3.C28H38N2O3.C27H30N4O.C26H34N2O3.C18H13F3INO3.2ClH/c1-29(2,3)24-11-9-22(10-12-24)23(8-7-17-31-15-5-4-6-16-31)20-28(32)30-25-13-14-26-27(21-25)34-19-18-33-26;1-6-30(7-2)16-8-9-22(21-10-12-23(13-11-21)28(3,4)5)19-27(31)29-24-14-15-25-26(20-24)33-18-17-32-25;1-27(2,3)23-8-6-20(7-9-23)21(5-4-15-31-16-14-28-19-31)18-26(32)30-24-10-11-25-22(17-24)12-13-29-25;1-5-27-14-6-7-20(19-8-10-21(11-9-19)26(2,3)4)17-25(29)28-22-12-13-23-24(18-22)31-16-15-30-23;19-18(20,21)12-3-1-11(2-4-12)14(22)10-17(24)23-13-5-6-15-16(9-13)26-8-7-25-15;;/h9-14,20-21H,4-8,15-19H2,1-3H3,(H,30,32);10-15,19-20H,6-9,16-18H2,1-5H3,(H,29,31);6-14,16-19,29H,4-5,15H2,1-3H3,(H,30,32);8-13,17-18,27H,5-7,14-16H2,1-4H3,(H,28,29);1-6,9-10H,7-8H2,(H,23,24);2*1H/b23-20+;22-19+;21-18+;20-17+;14-10-;;.

What are the key properties of (E)-3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhex-2-enamide;(E)-3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hex-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-iodo-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;dihydrochloride?

(E)-3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhex-2-enamide;(E)-3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hex-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-iodo-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;dihydrochloride has a molecular weight of 2310.52 g/mol, XLogP of 29.01, 34 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(4-tert-butylphenyl)-6-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(ethylamino)hex-2-enamide;(E)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-piperidin-1-ylhex-2-enamide;(E)-3-(4-tert-butylphenyl)-6-imidazol-1-yl-N-(1H-indol-5-yl)hex-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-iodo-3-[4-(trifluoromethyl)phenyl]prop-2-enamide;dihydrochloride is sourced from PubChem (CID 159592103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).