(E)-2-cyano-3-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dipropylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(2-morpholin-4-ylethylamino)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-morpholin-4-ylphenyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)but-2-enamide

C130H177N23O16 — CID 159896924

About (E)-2-cyano-3-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dipropylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(2-morpholin-4-ylethylamino)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-morpholin-4-ylphenyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)but-2-enamide

(E)-2-cyano-3-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dipropylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(2-morpholin-4-ylethylamino)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-morpholin-4-ylphenyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)but-2-enamide (PubChem CID 159896924) has the molecular formula C130H177N23O16 and a molecular weight of 2317.99 g/mol. Its IUPAC name is (E)-2-cyano-3-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dipropylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(2-morpholin-4-ylethylamino)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-morpholin-4-ylphenyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)but-2-enamide.

Molecular Properties

• Compound Name: (E)-2-cyano-3-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dipropylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(2-morpholin-4-ylethylamino)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-morpholin-4-ylphenyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)but-2-enamide
• PubChem CID: 159896924
• Molecular Formula: C130H177N23O16
• Molecular Weight: 2317.99 g/mol
• Exact Mass: 2316.37
• IUPAC Name: (E)-2-cyano-3-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dipropylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(2-morpholin-4-ylethylamino)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-morpholin-4-ylphenyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)but-2-enamide
• SMILES: CCCN(CCC)c1ccc(/C(C)=C(\C#N)C(=O)NCCOC)cc1.CCN(CC)c1ccc(/C(C)=C(\C#N)C(=O)NCCOC)cc1.COCCNC(=O)/C(C#N)=C(\C)c1ccc(N(C)C)cc1.COCCNC(=O)/C(C#N)=C(\C)c1ccc(N2CCCCC2)cc1.COCCNC(=O)/C(C#N)=C(\C)c1ccc(N2CCN(C)CC2)cc1.COCCNC(=O)/C(C#N)=C(\C)c1ccc(N2CCOCC2)cc1.COCCNC(=O)/C(C#N)=C(\C)c1ccc(NCCN2CCOCC2)cc1
• InChI: InChI=1S/C20H28N4O3.C20H29N3O2.C19H26N4O2.C19H25N3O2.C18H23N3O3.C18H25N3O2.C16H21N3O2/c1-16(19(15-21)20(25)23-8-12-26-2)17-3-5-18(6-4-17)22-7-9-24-10-13-27-14-11-24;1-5-12-23(13-6-2)18-9-7-17(8-10-18)16(3)19(15-21)20(24)22-11-14-25-4;1-15(18(14-20)19(24)21-8-13-25-3)16-4-6-17(7-5-16)23-11-9-22(2)10-12-23;1-15(18(14-20)19(23)21-10-13-24-2)16-6-8-17(9-7-16)22-11-4-3-5-12-22;1-14(17(13-19)18(22)20-7-10-23-2)15-3-5-16(6-4-15)21-8-11-24-12-9-21;1-5-21(6-2)16-9-7-15(8-10-16)14(3)17(13-19)18(22)20-11-12-23-4;1-12(13-5-7-14(8-6-13)19(2)3)15(11-17)16(20)18-9-10-21-4/h3-6,22H,7-14H2,1-2H3,(H,23,25);7-10H,5-6,11-14H2,1-4H3,(H,22,24);4-7H,8-13H2,1-3H3,(H,21,24);6-9H,3-5,10-13H2,1-2H3,(H,21,23);3-6H,7-12H2,1-2H3,(H,20,22);7-10H,5-6,11-12H2,1-4H3,(H,20,22);5-8H,9-10H2,1-4H3,(H,18,20)/b2*19-16+;2*18-15+;2*17-14+;15-12+
• InChIKey: NVLPTGLDVHYZGC-SKTDXSJNSA-N
• XLogP: 15.09
• TPSA: 491.25 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 51
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2317.99
LogP ≤ 5	15.09
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dipropylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(2-morpholin-4-ylethylamino)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-morpholin-4-ylphenyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)but-2-enamide?

The IUPAC name of (E)-2-cyano-3-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dipropylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(2-morpholin-4-ylethylamino)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-morpholin-4-ylphenyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)but-2-enamide (CID 159896924) is (E)-2-cyano-3-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dipropylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(2-morpholin-4-ylethylamino)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-morpholin-4-ylphenyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)but-2-enamide.

What is the SMILES notation for (E)-2-cyano-3-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dipropylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(2-morpholin-4-ylethylamino)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-morpholin-4-ylphenyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)but-2-enamide?

The canonical SMILES for (E)-2-cyano-3-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dipropylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(2-morpholin-4-ylethylamino)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-morpholin-4-ylphenyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)but-2-enamide is CCCN(CCC)c1ccc(/C(C)=C(\C#N)C(=O)NCCOC)cc1.CCN(CC)c1ccc(/C(C)=C(\C#N)C(=O)NCCOC)cc1.COCCNC(=O)/C(C#N)=C(\C)c1ccc(N(C)C)cc1.COCCNC(=O)/C(C#N)=C(\C)c1ccc(N2CCCCC2)cc1.COCCNC(=O)/C(C#N)=C(\C)c1ccc(N2CCN(C)CC2)cc1.COCCNC(=O)/C(C#N)=C(\C)c1ccc(N2CCOCC2)cc1.COCCNC(=O)/C(C#N)=C(\C)c1ccc(NCCN2CCOCC2)cc1.

What is the InChIKey of (E)-2-cyano-3-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dipropylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(2-morpholin-4-ylethylamino)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-morpholin-4-ylphenyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)but-2-enamide?

The InChIKey is NVLPTGLDVHYZGC-SKTDXSJNSA-N. The full InChI is InChI=1S/C20H28N4O3.C20H29N3O2.C19H26N4O2.C19H25N3O2.C18H23N3O3.C18H25N3O2.C16H21N3O2/c1-16(19(15-21)20(25)23-8-12-26-2)17-3-5-18(6-4-17)22-7-9-24-10-13-27-14-11-24;1-5-12-23(13-6-2)18-9-7-17(8-10-18)16(3)19(15-21)20(24)22-11-14-25-4;1-15(18(14-20)19(24)21-8-13-25-3)16-4-6-17(7-5-16)23-11-9-22(2)10-12-23;1-15(18(14-20)19(23)21-10-13-24-2)16-6-8-17(9-7-16)22-11-4-3-5-12-22;1-14(17(13-19)18(22)20-7-10-23-2)15-3-5-16(6-4-15)21-8-11-24-12-9-21;1-5-21(6-2)16-9-7-15(8-10-16)14(3)17(13-19)18(22)20-11-12-23-4;1-12(13-5-7-14(8-6-13)19(2)3)15(11-17)16(20)18-9-10-21-4/h3-6,22H,7-14H2,1-2H3,(H,23,25);7-10H,5-6,11-14H2,1-4H3,(H,22,24);4-7H,8-13H2,1-3H3,(H,21,24);6-9H,3-5,10-13H2,1-2H3,(H,21,23);3-6H,7-12H2,1-2H3,(H,20,22);7-10H,5-6,11-12H2,1-4H3,(H,20,22);5-8H,9-10H2,1-4H3,(H,18,20)/b2*19-16+;2*18-15+;2*17-14+;15-12+.

What are the key properties of (E)-2-cyano-3-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dipropylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(2-morpholin-4-ylethylamino)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-morpholin-4-ylphenyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)but-2-enamide?

(E)-2-cyano-3-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dipropylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(2-morpholin-4-ylethylamino)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-morpholin-4-ylphenyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)but-2-enamide has a molecular weight of 2317.99 g/mol, XLogP of 15.09, 51 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-2-cyano-3-[4-(diethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-3-[4-(dipropylamino)phenyl]-N-(2-methoxyethyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-[4-(2-morpholin-4-ylethylamino)phenyl]but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-morpholin-4-ylphenyl)but-2-enamide;(E)-2-cyano-N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)but-2-enamide is sourced from PubChem (CID 159896924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).