1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate

C172H191N25O18 — CID 158216468

About 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate

1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate (PubChem CID 158216468) has the molecular formula C172H191N25O18 and a molecular weight of 2896.58 g/mol. Its IUPAC name is 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate.

Molecular Properties

• Compound Name: 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate
• PubChem CID: 158216468
• Molecular Formula: C172H191N25O18
• Molecular Weight: 2896.58 g/mol
• Exact Mass: 2894.48
• IUPAC Name: 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate
• SMILES: CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cncn4)cc3n2C2CCC2)cc1.CCCOC(=O)N(CC)c1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C2CCC2)cc1.CCCn1c(-c2ccc(NC(=O)NCCc3ccccc3)cc2)c(C#N)c2ccc(OCC)cc21.CCOc1ccc2c(C#N)c(-c3ccc(N(CC)C(=O)OC4CCCC4)cc3)n(C3CCC3)c2c1
• InChI: InChI=1S/C30H36N4O4.C29H31N5O3.C29H30N4O2.C29H33N3O3.C28H30N6O3.C27H31N3O3/c1-21(2)38-30(35)32-23-9-7-22(8-10-23)29-27(20-31)26-12-11-25(19-28(26)34(29)24-5-3-6-24)37-16-4-13-33-14-17-36-18-15-33;1-20(2)37-29(35)32-22-9-7-21(8-10-22)28-26(18-30)25-12-11-24(17-27(25)34(28)23-5-3-6-23)36-16-4-14-33-15-13-31-19-33;1-3-18-33-27-19-24(35-4-2)14-15-25(27)26(20-30)28(33)22-10-12-23(13-11-22)32-29(34)31-17-16-21-8-6-5-7-9-21;1-3-31(29(33)35-23-10-5-6-11-23)21-14-12-20(13-15-21)28-26(19-30)25-17-16-24(34-4-2)18-27(25)32(28)22-8-7-9-22;1-19(2)37-28(35)32-21-9-7-20(8-10-21)27-25(16-29)24-12-11-23(15-26(24)34(27)22-5-3-6-22)36-14-4-13-33-18-30-17-31-33;1-4-16-33-27(31)29(5-2)20-12-10-19(11-13-20)26-24(18-28)23-15-14-22(32-6-3)17-25(23)30(26)21-8-7-9-21/h7-12,19,21,24H,3-6,13-18H2,1-2H3,(H,32,35);7-13,15,17,19-20,23H,3-6,14,16H2,1-2H3,(H,32,35);5-15,19H,3-4,16-18H2,1-2H3,(H2,31,32,34);12-18,22-23H,3-11H2,1-2H3;7-12,15,17-19,22H,3-6,13-14H2,1-2H3,(H,32,35);10-15,17,21H,4-9,16H2,1-3H3
• InChIKey: GCSFKNYWDMXZHB-UHFFFAOYSA-N
• XLogP: 38.65
• TPSA: 503.90 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 51
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2896.58
LogP ≤ 5	38.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate?

The IUPAC name of 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate (CID 158216468) is 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate.

What is the SMILES notation for 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate?

The canonical SMILES for 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate is CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCN4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4ccnc4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCCn4cncn4)cc3n2C2CCC2)cc1.CCCOC(=O)N(CC)c1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C2CCC2)cc1.CCCn1c(-c2ccc(NC(=O)NCCc3ccccc3)cc2)c(C#N)c2ccc(OCC)cc21.CCOc1ccc2c(C#N)c(-c3ccc(N(CC)C(=O)OC4CCCC4)cc3)n(C3CCC3)c2c1.

What is the InChIKey of 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate?

The InChIKey is GCSFKNYWDMXZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O4.C29H31N5O3.C29H30N4O2.C29H33N3O3.C28H30N6O3.C27H31N3O3/c1-21(2)38-30(35)32-23-9-7-22(8-10-23)29-27(20-31)26-12-11-25(19-28(26)34(29)24-5-3-6-24)37-16-4-13-33-14-17-36-18-15-33;1-20(2)37-29(35)32-22-9-7-21(8-10-22)28-26(18-30)25-12-11-24(17-27(25)34(28)23-5-3-6-23)36-16-4-14-33-15-13-31-19-33;1-3-18-33-27-19-24(35-4-2)14-15-25(27)26(20-30)28(33)22-10-12-23(13-11-22)32-29(34)31-17-16-21-8-6-5-7-9-21;1-3-31(29(33)35-23-10-5-6-11-23)21-14-12-20(13-15-21)28-26(19-30)25-17-16-24(34-4-2)18-27(25)32(28)22-8-7-9-22;1-19(2)37-28(35)32-21-9-7-20(8-10-21)27-25(16-29)24-12-11-23(15-26(24)34(27)22-5-3-6-22)36-14-4-13-33-18-30-17-31-33;1-4-16-33-27(31)29(5-2)20-12-10-19(11-13-20)26-24(18-28)23-15-14-22(32-6-3)17-25(23)30(26)21-8-7-9-21/h7-12,19,21,24H,3-6,13-18H2,1-2H3,(H,32,35);7-13,15,17,19-20,23H,3-6,14,16H2,1-2H3,(H,32,35);5-15,19H,3-4,16-18H2,1-2H3,(H2,31,32,34);12-18,22-23H,3-11H2,1-2H3;7-12,15,17-19,22H,3-6,13-14H2,1-2H3,(H,32,35);10-15,17,21H,4-9,16H2,1-3H3.

What are the key properties of 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate?

1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate has a molecular weight of 2896.58 g/mol, XLogP of 38.65, 51 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]-3-(2-phenylethyl)urea;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-imidazol-1-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-(3-morpholin-4-ylpropoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[3-cyano-1-cyclobutyl-6-[3-(1,2,4-triazol-1-yl)propoxy]indol-2-yl]phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-N-ethylcarbamate is sourced from PubChem (CID 158216468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).