ethyl (Z)-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enoate;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropanamide;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropan-1-amine;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide

C77H79N7O4 — CID 158408957

About ethyl (Z)-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enoate;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropanamide;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropan-1-amine;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide

ethyl (Z)-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enoate;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropanamide;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropan-1-amine;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide (PubChem CID 158408957) has the molecular formula C77H79N7O4 and a molecular weight of 1166.52 g/mol. Its IUPAC name is ethyl (Z)-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enoate;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropanamide;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropan-1-amine;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide.

Molecular Properties

• Compound Name: ethyl (Z)-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enoate;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropanamide;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropan-1-amine;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide
• PubChem CID: 158408957
• Molecular Formula: C77H79N7O4
• Molecular Weight: 1166.52 g/mol
• Exact Mass: 1165.62
• IUPAC Name: ethyl (Z)-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enoate;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropanamide;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropan-1-amine;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide
• SMILES: CCOC(=O)/C=C(/c1ccccc1)c1ccc2[nH]c(C)cc2c1.CNC(=O)/C=C(/c1ccccc1)c1ccc2[nH]c(C)cc2c1.CNC(=O)CC(c1ccccc1)c1ccc2[nH]c(C)cc2c1.CNCCC(c1ccccc1)c1ccc2[nH]c(C)cc2c1
• InChI: InChI=1S/C20H19NO2.C19H20N2O.C19H18N2O.C19H22N2/c1-3-23-20(22)13-18(15-7-5-4-6-8-15)16-9-10-19-17(12-16)11-14(2)21-19;2*1-13-10-16-11-15(8-9-18(16)21-13)17(12-19(22)20-2)14-6-4-3-5-7-14;1-14-12-17-13-16(8-9-19(17)21-14)18(10-11-20-2)15-6-4-3-5-7-15/h4-13,21H,3H2,1-2H3;3-11,17,21H,12H2,1-2H3,(H,20,22);3-12,21H,1-2H3,(H,20,22);3-9,12-13,18,20-21H,10-11H2,1-2H3/b18-13-;;17-12-
• InChIKey: GZBCJYVBBMWJMU-ZJGBGLGCSA-N
• XLogP: 16.09
• TPSA: 159.69 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1166.52
LogP ≤ 5	16.09
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enoate;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropanamide;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropan-1-amine;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide?

The IUPAC name of ethyl (Z)-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enoate;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropanamide;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropan-1-amine;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide (CID 158408957) is ethyl (Z)-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enoate;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropanamide;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropan-1-amine;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide.

What is the SMILES notation for ethyl (Z)-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enoate;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropanamide;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropan-1-amine;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide?

The canonical SMILES for ethyl (Z)-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enoate;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropanamide;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropan-1-amine;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide is CCOC(=O)/C=C(/c1ccccc1)c1ccc2[nH]c(C)cc2c1.CNC(=O)/C=C(/c1ccccc1)c1ccc2[nH]c(C)cc2c1.CNC(=O)CC(c1ccccc1)c1ccc2[nH]c(C)cc2c1.CNCCC(c1ccccc1)c1ccc2[nH]c(C)cc2c1.

What is the InChIKey of ethyl (Z)-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enoate;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropanamide;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropan-1-amine;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide?

The InChIKey is GZBCJYVBBMWJMU-ZJGBGLGCSA-N. The full InChI is InChI=1S/C20H19NO2.C19H20N2O.C19H18N2O.C19H22N2/c1-3-23-20(22)13-18(15-7-5-4-6-8-15)16-9-10-19-17(12-16)11-14(2)21-19;2*1-13-10-16-11-15(8-9-18(16)21-13)17(12-19(22)20-2)14-6-4-3-5-7-14;1-14-12-17-13-16(8-9-19(17)21-14)18(10-11-20-2)15-6-4-3-5-7-15/h4-13,21H,3H2,1-2H3;3-11,17,21H,12H2,1-2H3,(H,20,22);3-12,21H,1-2H3,(H,20,22);3-9,12-13,18,20-21H,10-11H2,1-2H3/b18-13-;;17-12-;.

What are the key properties of ethyl (Z)-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enoate;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropanamide;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropan-1-amine;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide?

ethyl (Z)-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enoate;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropanamide;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropan-1-amine;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide has a molecular weight of 1166.52 g/mol, XLogP of 16.09, 16 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (Z)-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enoate;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropanamide;N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylpropan-1-amine;(Z)-N-methyl-3-(2-methyl-1H-indol-5-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 158408957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).