(Z)-3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylprop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)prop-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

C165H170F3N13O17 — CID 158673947

About (Z)-3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylprop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)prop-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

(Z)-3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylprop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)prop-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 158673947) has the molecular formula C165H170F3N13O17 and a molecular weight of 2664.24 g/mol. Its IUPAC name is (Z)-3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylprop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)prop-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (Z)-3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylprop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)prop-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
• PubChem CID: 158673947
• Molecular Formula: C165H170F3N13O17
• Molecular Weight: 2664.24 g/mol
• Exact Mass: 2662.28
• IUPAC Name: (Z)-3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylprop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)prop-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
• SMILES: CC(C)(C)c1ccc(/C(=C/C(=O)Nc2ccc3c(c2)OCCO3)c2cccc(CN3CCOCC3)c2)cc1.CC(C)(C)c1ccc(C(=CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc[nH]2)cc1.CC(C)(C)c1ccc(C(=CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccn2)cc1.CCN(CC)Cc1cccc(/C(=C\C(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)c1.Cc1ccc(/C(=C\C(=O)Nc2ccc3[nH]ccc3c2)c2ccc(C(C)(C)C)cc2)cn1.O=C(/C=C(/c1ccc(C(F)(F)F)cc1)c1ccccn1)Nc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C32H36N2O4.C32H38N2O3.C27H27N3O.C26H26N2O3.C25H26N2O3.C23H17F3N2O3/c1-32(2,3)26-9-7-24(8-10-26)28(25-6-4-5-23(19-25)22-34-13-15-36-16-14-34)21-31(35)33-27-11-12-29-30(20-27)38-18-17-37-29;1-6-34(7-2)22-23-9-8-10-25(19-23)28(24-11-13-26(14-12-24)32(3,4)5)21-31(35)33-27-15-16-29-30(20-27)37-18-17-36-29;1-18-5-6-21(17-29-18)24(19-7-9-22(10-8-19)27(2,3)4)16-26(31)30-23-11-12-25-20(15-23)13-14-28-25;1-26(2,3)19-9-7-18(8-10-19)21(22-6-4-5-13-27-22)17-25(29)28-20-11-12-23-24(16-20)31-15-14-30-23;1-25(2,3)18-8-6-17(7-9-18)20(21-5-4-12-26-21)16-24(28)27-19-10-11-22-23(15-19)30-14-13-29-22;24-23(25,26)16-6-4-15(5-7-16)18(19-3-1-2-10-27-19)14-22(29)28-17-8-9-20-21(13-17)31-12-11-30-20/h4-12,19-21H,13-18,22H2,1-3H3,(H,33,35);8-16,19-21H,6-7,17-18,22H2,1-5H3,(H,33,35);5-17,28H,1-4H3,(H,30,31);4-13,16-17H,14-15H2,1-3H3,(H,28,29);4-12,15-16,26H,13-14H2,1-3H3,(H,27,28);1-10,13-14H,11-12H2,(H,28,29)/b2*28-21-;24-16-;;;18-14-
• InChIKey: IEGYNFJUYMTTHT-PPTJICQVSA-N
• XLogP: 33.88
• TPSA: 352.86 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 30
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2664.24
LogP ≤ 5	33.88
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

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)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylprop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)prop-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?

The IUPAC name of (Z)-3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylprop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)prop-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 158673947) is (Z)-3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylprop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)prop-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.

What is the SMILES notation for (Z)-3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylprop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)prop-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?

The canonical SMILES for (Z)-3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylprop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)prop-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is CC(C)(C)c1ccc(/C(=C/C(=O)Nc2ccc3c(c2)OCCO3)c2cccc(CN3CCOCC3)c2)cc1.CC(C)(C)c1ccc(C(=CC(=O)Nc2ccc3c(c2)OCCO3)c2ccc[nH]2)cc1.CC(C)(C)c1ccc(C(=CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccn2)cc1.CCN(CC)Cc1cccc(/C(=C\C(=O)Nc2ccc3c(c2)OCCO3)c2ccc(C(C)(C)C)cc2)c1.Cc1ccc(/C(=C\C(=O)Nc2ccc3[nH]ccc3c2)c2ccc(C(C)(C)C)cc2)cn1.O=C(/C=C(/c1ccc(C(F)(F)F)cc1)c1ccccn1)Nc1ccc2c(c1)OCCO2.

What is the InChIKey of (Z)-3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylprop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)prop-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?

The InChIKey is IEGYNFJUYMTTHT-PPTJICQVSA-N. The full InChI is InChI=1S/C32H36N2O4.C32H38N2O3.C27H27N3O.C26H26N2O3.C25H26N2O3.C23H17F3N2O3/c1-32(2,3)26-9-7-24(8-10-26)28(25-6-4-5-23(19-25)22-34-13-15-36-16-14-34)21-31(35)33-27-11-12-29-30(20-27)38-18-17-37-29;1-6-34(7-2)22-23-9-8-10-25(19-23)28(24-11-13-26(14-12-24)32(3,4)5)21-31(35)33-27-15-16-29-30(20-27)37-18-17-36-29;1-18-5-6-21(17-29-18)24(19-7-9-22(10-8-19)27(2,3)4)16-26(31)30-23-11-12-25-20(15-23)13-14-28-25;1-26(2,3)19-9-7-18(8-10-19)21(22-6-4-5-13-27-22)17-25(29)28-20-11-12-23-24(16-20)31-15-14-30-23;1-25(2,3)18-8-6-17(7-9-18)20(21-5-4-12-26-21)16-24(28)27-19-10-11-22-23(15-19)30-14-13-29-22;24-23(25,26)16-6-4-15(5-7-16)18(19-3-1-2-10-27-19)14-22(29)28-17-8-9-20-21(13-17)31-12-11-30-20/h4-12,19-21H,13-18,22H2,1-3H3,(H,33,35);8-16,19-21H,6-7,17-18,22H2,1-5H3,(H,33,35);5-17,28H,1-4H3,(H,30,31);4-13,16-17H,14-15H2,1-3H3,(H,28,29);4-12,15-16,26H,13-14H2,1-3H3,(H,27,28);1-10,13-14H,11-12H2,(H,28,29)/b2*28-21-;24-16-;;;18-14-.

What are the key properties of (Z)-3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylprop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)prop-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?

(Z)-3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylprop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)prop-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 2664.24 g/mol, XLogP of 33.88, 30 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-(4-tert-butylphenyl)-3-[3-(diethylaminomethyl)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(morpholin-4-ylmethyl)phenyl]prop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-ylprop-2-enamide;3-(4-tert-butylphenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1H-pyrrol-2-yl)prop-2-enamide;(Z)-3-(4-tert-butylphenyl)-N-(1H-indol-5-yl)-3-(6-methyl-3-pyridinyl)prop-2-enamide;(Z)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 158673947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).