(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylprop-2-enamide

C137H128F6N14O20S — CID 157379363

About (Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylprop-2-enamide

(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylprop-2-enamide (PubChem CID 157379363) has the molecular formula C137H128F6N14O20S and a molecular weight of 2436.66 g/mol. Its IUPAC name is (Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylprop-2-enamide.

Molecular Properties

• Compound Name: (Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylprop-2-enamide
• PubChem CID: 157379363
• Molecular Formula: C137H128F6N14O20S
• Molecular Weight: 2436.66 g/mol
• Exact Mass: 2434.91
• IUPAC Name: (Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylprop-2-enamide
• SMILES: CCc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)o1.CCc1ncc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)[nH]1.Cc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)s1.Cc1cccc(/C(=C\C(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)c1.O=C(/C=C/c1ccc(C(F)(F)F)nc1)Nc1ccc2c(c1)OCCO2.O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2cccnc2c1.O=C(/C=C/c1cnc2ccccc2c1)Nc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C28H29NO3.C23H21F3N4O.C20H16N2O3.C17H13F3N2O3.C17H17NO4.C16H17N3O3.C16H15NO3S/c1-19-6-5-7-21(16-19)24(20-8-10-22(11-9-20)28(2,3)4)18-27(30)29-23-12-13-25-26(17-23)32-15-14-31-25;24-23(25,26)20-10-7-17(22(29-20)30-13-2-1-3-14-30)8-11-21(31)28-18-9-6-16-5-4-12-27-19(16)15-18;23-20(22-16-6-7-18-19(12-16)25-10-9-24-18)8-5-14-11-15-3-1-2-4-17(15)21-13-14;18-17(19,20)15-5-1-11(10-21-15)2-6-16(23)22-12-3-4-13-14(9-12)25-8-7-24-13;1-2-13-4-5-14(22-13)6-8-17(19)18-12-3-7-15-16(11-12)21-10-9-20-15;1-2-15-17-10-12(18-15)4-6-16(20)19-11-3-5-13-14(9-11)22-8-7-21-13;1-11-2-4-13(21-11)5-7-16(18)17-12-3-6-14-15(10-12)20-9-8-19-14/h5-13,16-18H,14-15H2,1-4H3,(H,29,30);4-12,15H,1-3,13-14H2,(H,28,31);1-8,11-13H,9-10H2,(H,22,23);1-6,9-10H,7-8H2,(H,22,23);3-8,11H,2,9-10H2,1H3,(H,18,19);3-6,9-10H,2,7-8H2,1H3,(H,17,18)(H,19,20);2-7,10H,8-9H2,1H3,(H,17,18)/b24-18-;11-8+;8-5+;6-2+;8-6+;6-4+;7-5+
• InChIKey: BKRPYCCWQMFPRQ-XEBHWNDUSA-N
• XLogP: 27.75
• TPSA: 411.08 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2436.66
LogP ≤ 5	27.75
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylprop-2-enamide?

The IUPAC name of (Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylprop-2-enamide (CID 157379363) is (Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylprop-2-enamide.

What is the SMILES notation for (Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylprop-2-enamide?

The canonical SMILES for (Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylprop-2-enamide is CCc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)o1.CCc1ncc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)[nH]1.Cc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)s1.Cc1cccc(/C(=C\C(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)c1.O=C(/C=C/c1ccc(C(F)(F)F)nc1)Nc1ccc2c(c1)OCCO2.O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCCCC1)Nc1ccc2cccnc2c1.O=C(/C=C/c1cnc2ccccc2c1)Nc1ccc2c(c1)OCCO2.

What is the InChIKey of (Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylprop-2-enamide?

The InChIKey is BKRPYCCWQMFPRQ-XEBHWNDUSA-N. The full InChI is InChI=1S/C28H29NO3.C23H21F3N4O.C20H16N2O3.C17H13F3N2O3.C17H17NO4.C16H17N3O3.C16H15NO3S/c1-19-6-5-7-21(16-19)24(20-8-10-22(11-9-20)28(2,3)4)18-27(30)29-23-12-13-25-26(17-23)32-15-14-31-25;24-23(25,26)20-10-7-17(22(29-20)30-13-2-1-3-14-30)8-11-21(31)28-18-9-6-16-5-4-12-27-19(16)15-18;23-20(22-16-6-7-18-19(12-16)25-10-9-24-18)8-5-14-11-15-3-1-2-4-17(15)21-13-14;18-17(19,20)15-5-1-11(10-21-15)2-6-16(23)22-12-3-4-13-14(9-12)25-8-7-24-13;1-2-13-4-5-14(22-13)6-8-17(19)18-12-3-7-15-16(11-12)21-10-9-20-15;1-2-15-17-10-12(18-15)4-6-16(20)19-11-3-5-13-14(9-11)22-8-7-21-13;1-11-2-4-13(21-11)5-7-16(18)17-12-3-6-14-15(10-12)20-9-8-19-14/h5-13,16-18H,14-15H2,1-4H3,(H,29,30);4-12,15H,1-3,13-14H2,(H,28,31);1-8,11-13H,9-10H2,(H,22,23);1-6,9-10H,7-8H2,(H,22,23);3-8,11H,2,9-10H2,1H3,(H,18,19);3-6,9-10H,2,7-8H2,1H3,(H,17,18)(H,19,20);2-7,10H,8-9H2,1H3,(H,17,18)/b24-18-;11-8+;8-5+;6-2+;8-6+;6-4+;7-5+.

What are the key properties of (Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylprop-2-enamide?

(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylprop-2-enamide has a molecular weight of 2436.66 g/mol, XLogP of 27.75, 25 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-ethylfuran-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethyl-1H-imidazol-5-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-methylthiophen-2-yl)prop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-quinolin-3-ylprop-2-enamide;(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide;(E)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]-N-quinolin-7-ylprop-2-enamide is sourced from PubChem (CID 157379363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).