ethyl 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate;ethyl (E)-3-(5-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(5-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate

C78H82N6O10 — CID 160522729

About ethyl 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate;ethyl (E)-3-(5-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(5-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate

ethyl 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate;ethyl (E)-3-(5-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(5-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate (PubChem CID 160522729) has the molecular formula C78H82N6O10 and a molecular weight of 1263.55 g/mol. Its IUPAC name is ethyl 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate;ethyl (E)-3-(5-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(5-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate.

Molecular Properties

• Compound Name: ethyl 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate;ethyl (E)-3-(5-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(5-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate
• PubChem CID: 160522729
• Molecular Formula: C78H82N6O10
• Molecular Weight: 1263.55 g/mol
• Exact Mass: 1262.61
• IUPAC Name: ethyl 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate;ethyl (E)-3-(5-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(5-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate
• SMILES: CCOC(=O)/C=C(\c1ccccc1)c1cc2[nH]ccc2cc1OC.CCOC(=O)CC(c1ccccc1)c1cc2[nH]ccc2cc1OC.CNCCC(c1ccccc1)c1cc2[nH]ccc2cc1OC.CNOC(=O)CC(c1ccccc1)c1cc2[nH]ccc2cc1OC
• InChI: InChI=1S/C20H21NO3.C20H19NO3.C19H20N2O3.C19H22N2O/c2*1-3-24-20(22)13-16(14-7-5-4-6-8-14)17-12-18-15(9-10-21-18)11-19(17)23-2;1-20-24-19(22)12-15(13-6-4-3-5-7-13)16-11-17-14(8-9-21-17)10-18(16)23-2;1-20-10-9-16(14-6-4-3-5-7-14)17-13-18-15(8-11-21-18)12-19(17)22-2/h4-12,16,21H,3,13H2,1-2H3;4-13,21H,3H2,1-2H3;3-11,15,20-21H,12H2,1-2H3;3-8,11-13,16,20-21H,9-10H2,1-2H3/b;16-13+
• InChIKey: QUMJTMULSMZWSF-FLDYAGOFSA-N
• XLogP: 15.73
• TPSA: 203.04 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 23
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1263.55
LogP ≤ 5	15.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate;ethyl (E)-3-(5-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(5-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate?

The IUPAC name of ethyl 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate;ethyl (E)-3-(5-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(5-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate (CID 160522729) is ethyl 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate;ethyl (E)-3-(5-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(5-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate.

What is the SMILES notation for ethyl 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate;ethyl (E)-3-(5-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(5-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate?

The canonical SMILES for ethyl 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate;ethyl (E)-3-(5-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(5-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate is CCOC(=O)/C=C(\c1ccccc1)c1cc2[nH]ccc2cc1OC.CCOC(=O)CC(c1ccccc1)c1cc2[nH]ccc2cc1OC.CNCCC(c1ccccc1)c1cc2[nH]ccc2cc1OC.CNOC(=O)CC(c1ccccc1)c1cc2[nH]ccc2cc1OC.

What is the InChIKey of ethyl 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate;ethyl (E)-3-(5-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(5-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate?

The InChIKey is QUMJTMULSMZWSF-FLDYAGOFSA-N. The full InChI is InChI=1S/C20H21NO3.C20H19NO3.C19H20N2O3.C19H22N2O/c2*1-3-24-20(22)13-16(14-7-5-4-6-8-14)17-12-18-15(9-10-21-18)11-19(17)23-2;1-20-24-19(22)12-15(13-6-4-3-5-7-13)16-11-17-14(8-9-21-17)10-18(16)23-2;1-20-10-9-16(14-6-4-3-5-7-14)17-13-18-15(8-11-21-18)12-19(17)22-2/h4-12,16,21H,3,13H2,1-2H3;4-13,21H,3H2,1-2H3;3-11,15,20-21H,12H2,1-2H3;3-8,11-13,16,20-21H,9-10H2,1-2H3/b;16-13+;;.

What are the key properties of ethyl 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate;ethyl (E)-3-(5-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(5-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate?

ethyl 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate;ethyl (E)-3-(5-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(5-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate has a molecular weight of 1263.55 g/mol, XLogP of 15.73, 23 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate;ethyl (E)-3-(5-methoxy-1H-indol-6-yl)-3-phenylprop-2-enoate;3-(5-methoxy-1H-indol-6-yl)-N-methyl-3-phenylpropan-1-amine;methylamino 3-(5-methoxy-1H-indol-6-yl)-3-phenylpropanoate is sourced from PubChem (CID 160522729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).