(2E,4E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-N-benzyl-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(3-methylphenyl)methyl]penta-2,4-dienamide;bis((2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(4-methylphenyl)methyl]penta-2,4-dienamide);(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(4-phenylbutyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(2-phenylethyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide

C162H146N16O26 — CID 159399069

About (2E,4E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-N-benzyl-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(3-methylphenyl)methyl]penta-2,4-dienamide;bis((2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(4-methylphenyl)methyl]penta-2,4-dienamide);(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(4-phenylbutyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(2-phenylethyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide

(2E,4E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-N-benzyl-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(3-methylphenyl)methyl]penta-2,4-dienamide;bis((2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(4-methylphenyl)methyl]penta-2,4-dienamide);(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(4-phenylbutyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(2-phenylethyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide (PubChem CID 159399069) has the molecular formula C162H146N16O26 and a molecular weight of 2733.04 g/mol. Its IUPAC name is (2E,4E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-N-benzyl-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(3-methylphenyl)methyl]penta-2,4-dienamide;bis((2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(4-methylphenyl)methyl]penta-2,4-dienamide);(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(4-phenylbutyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(2-phenylethyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide.

Molecular Properties

• Compound Name: (2E,4E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-N-benzyl-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(3-methylphenyl)methyl]penta-2,4-dienamide;bis((2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(4-methylphenyl)methyl]penta-2,4-dienamide);(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(4-phenylbutyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(2-phenylethyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide
• PubChem CID: 159399069
• Molecular Formula: C162H146N16O26
• Molecular Weight: 2733.04 g/mol
• Exact Mass: 2731.06
• IUPAC Name: (2E,4E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-N-benzyl-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(3-methylphenyl)methyl]penta-2,4-dienamide;bis((2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(4-methylphenyl)methyl]penta-2,4-dienamide);(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(4-phenylbutyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(2-phenylethyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide
• SMILES: Cc1ccc(CNC(=O)/C(C#N)=C/C=C/c2cc(O)cc(O)c2)cc1.Cc1ccc(CNC(=O)/C(C#N)=C/C=C/c2cc(O)cc(O)c2)cc1.Cc1cccc(CNC(=O)/C(C#N)=C/C=C/c2cc(O)cc(O)c2)c1.N#C/C(=C\C=C\c1cc(O)cc(O)c1)C(=O)NCCCCc1ccccc1.N#C/C(=C\C=C\c1cc(O)cc(O)c1)C(=O)NCCCc1ccccc1.N#C/C(=C\C=C\c1cc(O)cc(O)c1)C(=O)NCCc1ccccc1.N#C/C(=C\C=C\c1cc(O)cc(O)c1)C(=O)NCc1ccc2c(c1)OCO2.N#C/C(=C\C=C\c1cc(O)cc(O)c1)C(=O)NCc1ccccc1
• InChI: InChI=1S/C22H22N2O3.C21H20N2O3.C20H16N2O5.4C20H18N2O3.C19H16N2O3/c23-16-19(11-6-10-18-13-20(25)15-21(26)14-18)22(27)24-12-5-4-9-17-7-2-1-3-8-17;22-15-18(10-4-8-17-12-19(24)14-20(25)13-17)21(26)23-11-5-9-16-6-2-1-3-7-16;21-10-15(3-1-2-13-6-16(23)9-17(24)7-13)20(25)22-11-14-4-5-18-19(8-14)27-12-26-18;1-14-4-2-6-16(8-14)13-22-20(25)17(12-21)7-3-5-15-9-18(23)11-19(24)10-15;2*1-14-5-7-15(8-6-14)13-22-20(25)17(12-21)4-2-3-16-9-18(23)11-19(24)10-16;21-14-17(8-4-7-16-11-18(23)13-19(24)12-16)20(25)22-10-9-15-5-2-1-3-6-15;20-12-16(19(24)21-13-14-5-2-1-3-6-14)8-4-7-15-9-17(22)11-18(23)10-15/h1-3,6-8,10-11,13-15,25-26H,4-5,9,12H2,(H,24,27);1-4,6-8,10,12-14,24-25H,5,9,11H2,(H,23,26);1-9,23-24H,11-12H2,(H,22,25);3*2-11,23-24H,13H2,1H3,(H,22,25);1-8,11-13,23-24H,9-10H2,(H,22,25);1-11,22-23H,13H2,(H,21,24)/b10-6+,19-11+;8-4+,18-10+;2-1+,15-3+;5-3+,17-7+;2*3-2+,17-4+;7-4+,17-8+;7-4+,16-8+
• InChIKey: LNCMJRGUQRDCID-VDKOOGSMSA-N
• XLogP: 24.97
• TPSA: 765.26 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 34
• Rotatable Bonds: 46
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2733.04
LogP ≤ 5	24.97
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-N-benzyl-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(3-methylphenyl)methyl]penta-2,4-dienamide;bis((2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(4-methylphenyl)methyl]penta-2,4-dienamide);(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(4-phenylbutyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(2-phenylethyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide?

The IUPAC name of (2E,4E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-N-benzyl-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(3-methylphenyl)methyl]penta-2,4-dienamide;bis((2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(4-methylphenyl)methyl]penta-2,4-dienamide);(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(4-phenylbutyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(2-phenylethyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide (CID 159399069) is (2E,4E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-N-benzyl-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(3-methylphenyl)methyl]penta-2,4-dienamide;bis((2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(4-methylphenyl)methyl]penta-2,4-dienamide);(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(4-phenylbutyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(2-phenylethyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide.

What is the SMILES notation for (2E,4E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-N-benzyl-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(3-methylphenyl)methyl]penta-2,4-dienamide;bis((2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(4-methylphenyl)methyl]penta-2,4-dienamide);(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(4-phenylbutyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(2-phenylethyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide?

The canonical SMILES for (2E,4E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-N-benzyl-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(3-methylphenyl)methyl]penta-2,4-dienamide;bis((2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(4-methylphenyl)methyl]penta-2,4-dienamide);(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(4-phenylbutyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(2-phenylethyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide is Cc1ccc(CNC(=O)/C(C#N)=C/C=C/c2cc(O)cc(O)c2)cc1.Cc1ccc(CNC(=O)/C(C#N)=C/C=C/c2cc(O)cc(O)c2)cc1.Cc1cccc(CNC(=O)/C(C#N)=C/C=C/c2cc(O)cc(O)c2)c1.N#C/C(=C\C=C\c1cc(O)cc(O)c1)C(=O)NCCCCc1ccccc1.N#C/C(=C\C=C\c1cc(O)cc(O)c1)C(=O)NCCCc1ccccc1.N#C/C(=C\C=C\c1cc(O)cc(O)c1)C(=O)NCCc1ccccc1.N#C/C(=C\C=C\c1cc(O)cc(O)c1)C(=O)NCc1ccc2c(c1)OCO2.N#C/C(=C\C=C\c1cc(O)cc(O)c1)C(=O)NCc1ccccc1.

What is the InChIKey of (2E,4E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-N-benzyl-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(3-methylphenyl)methyl]penta-2,4-dienamide;bis((2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(4-methylphenyl)methyl]penta-2,4-dienamide);(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(4-phenylbutyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(2-phenylethyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide?

The InChIKey is LNCMJRGUQRDCID-VDKOOGSMSA-N. The full InChI is InChI=1S/C22H22N2O3.C21H20N2O3.C20H16N2O5.4C20H18N2O3.C19H16N2O3/c23-16-19(11-6-10-18-13-20(25)15-21(26)14-18)22(27)24-12-5-4-9-17-7-2-1-3-8-17;22-15-18(10-4-8-17-12-19(24)14-20(25)13-17)21(26)23-11-5-9-16-6-2-1-3-7-16;21-10-15(3-1-2-13-6-16(23)9-17(24)7-13)20(25)22-11-14-4-5-18-19(8-14)27-12-26-18;1-14-4-2-6-16(8-14)13-22-20(25)17(12-21)7-3-5-15-9-18(23)11-19(24)10-15;2*1-14-5-7-15(8-6-14)13-22-20(25)17(12-21)4-2-3-16-9-18(23)11-19(24)10-16;21-14-17(8-4-7-16-11-18(23)13-19(24)12-16)20(25)22-10-9-15-5-2-1-3-6-15;20-12-16(19(24)21-13-14-5-2-1-3-6-14)8-4-7-15-9-17(22)11-18(23)10-15/h1-3,6-8,10-11,13-15,25-26H,4-5,9,12H2,(H,24,27);1-4,6-8,10,12-14,24-25H,5,9,11H2,(H,23,26);1-9,23-24H,11-12H2,(H,22,25);3*2-11,23-24H,13H2,1H3,(H,22,25);1-8,11-13,23-24H,9-10H2,(H,22,25);1-11,22-23H,13H2,(H,21,24)/b10-6+,19-11+;8-4+,18-10+;2-1+,15-3+;5-3+,17-7+;2*3-2+,17-4+;7-4+,17-8+;7-4+,16-8+.

What are the key properties of (2E,4E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-N-benzyl-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(3-methylphenyl)methyl]penta-2,4-dienamide;bis((2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(4-methylphenyl)methyl]penta-2,4-dienamide);(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(4-phenylbutyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(2-phenylethyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide?

(2E,4E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-N-benzyl-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(3-methylphenyl)methyl]penta-2,4-dienamide;bis((2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(4-methylphenyl)methyl]penta-2,4-dienamide);(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(4-phenylbutyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(2-phenylethyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide has a molecular weight of 2733.04 g/mol, XLogP of 24.97, 46 rotatable bonds, 24 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4E)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-N-benzyl-2-cyano-5-(3,5-dihydroxyphenyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(3-methylphenyl)methyl]penta-2,4-dienamide;bis((2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-[(4-methylphenyl)methyl]penta-2,4-dienamide);(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(4-phenylbutyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(2-phenylethyl)penta-2,4-dienamide;(2E,4E)-2-cyano-5-(3,5-dihydroxyphenyl)-N-(3-phenylpropyl)penta-2,4-dienamide is sourced from PubChem (CID 159399069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).