1-cyclopropylethyl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate

C176H191Cl2F6IN12O21 — CID 158030451

About 1-cyclopropylethyl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate

1-cyclopropylethyl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate (PubChem CID 158030451) has the molecular formula C176H191Cl2F6IN12O21 and a molecular weight of 3122.32 g/mol. Its IUPAC name is 1-cyclopropylethyl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 1-cyclopropylethyl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate
• PubChem CID: 158030451
• Molecular Formula: C176H191Cl2F6IN12O21
• Molecular Weight: 3122.32 g/mol
• Exact Mass: 3119.26
• IUPAC Name: 1-cyclopropylethyl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate
• SMILES: CC(OC(=O)Nc1ccc(-c2c(C#CC(F)(F)F)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(Cl)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(I)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CCOc1ccc2c(C#CC(F)(F)F)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC3CC3)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(Cl)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1
• InChI: InChI=1S/C32H33F3N2O4.C31H34N2O3.C29H33ClN2O4.C29H29F3N2O3.C29H33IN2O4.C26H29ClN2O3/c1-20(21-5-6-21)40-31(38)36-23-9-7-22(8-10-23)30-28(13-16-32(33,34)35)27-12-11-26(41-25-14-17-39-18-15-25)19-29(27)37(30)24-3-2-4-24;1-3-35-26-16-18-27-28(17-9-21-7-8-21)30(33(29(27)19-26)25-5-4-6-25)23-12-14-24(15-13-23)32-31(34)36-20(2)22-10-11-22;1-18(19-5-6-19)35-29(33)31-21-9-7-20(8-10-21)28-27(30)25-12-11-24(36-23-13-15-34-16-14-23)17-26(25)32(28)22-3-2-4-22;1-3-36-23-13-14-24-25(15-16-29(30,31)32)27(34(26(24)17-23)22-5-4-6-22)20-9-11-21(12-10-20)33-28(35)37-18(2)19-7-8-19;1-18(19-5-6-19)35-29(33)31-21-9-7-20(8-10-21)28-27(30)25-12-11-24(36-23-13-15-34-16-14-23)17-26(25)32(28)22-3-2-4-22;1-3-31-21-13-14-22-23(15-21)29(20-5-4-6-20)25(24(22)27)18-9-11-19(12-10-18)28-26(30)32-16(2)17-7-8-17/h7-12,19-21,24-25H,2-6,14-15,17-18H2,1H3,(H,36,38);12-16,18-22,25H,3-8,10-11H2,1-2H3,(H,32,34);7-12,17-19,22-23H,2-6,13-16H2,1H3,(H,31,33);9-14,17-19,22H,3-8H2,1-2H3,(H,33,35);7-12,17-19,22-23H,2-6,13-16H2,1H3,(H,31,33);9-17,20H,3-8H2,1-2H3,(H,28,30)
• InChIKey: FHCRINASLMGTKH-UHFFFAOYSA-N
• XLogP: 45.65
• TPSA: 342.63 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 42
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3122.32
LogP ≤ 5	45.65
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethyl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate?

The IUPAC name of 1-cyclopropylethyl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate (CID 158030451) is 1-cyclopropylethyl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate.

What is the SMILES notation for 1-cyclopropylethyl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate?

The canonical SMILES for 1-cyclopropylethyl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate is CC(OC(=O)Nc1ccc(-c2c(C#CC(F)(F)F)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(Cl)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(I)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CCOc1ccc2c(C#CC(F)(F)F)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#CC3CC3)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(Cl)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.

What is the InChIKey of 1-cyclopropylethyl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate?

The InChIKey is FHCRINASLMGTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F3N2O4.C31H34N2O3.C29H33ClN2O4.C29H29F3N2O3.C29H33IN2O4.C26H29ClN2O3/c1-20(21-5-6-21)40-31(38)36-23-9-7-22(8-10-23)30-28(13-16-32(33,34)35)27-12-11-26(41-25-14-17-39-18-15-25)19-29(27)37(30)24-3-2-4-24;1-3-35-26-16-18-27-28(17-9-21-7-8-21)30(33(29(27)19-26)25-5-4-6-25)23-12-14-24(15-13-23)32-31(34)36-20(2)22-10-11-22;1-18(19-5-6-19)35-29(33)31-21-9-7-20(8-10-21)28-27(30)25-12-11-24(36-23-13-15-34-16-14-23)17-26(25)32(28)22-3-2-4-22;1-3-36-23-13-14-24-25(15-16-29(30,31)32)27(34(26(24)17-23)22-5-4-6-22)20-9-11-21(12-10-20)33-28(35)37-18(2)19-7-8-19;1-18(19-5-6-19)35-29(33)31-21-9-7-20(8-10-21)28-27(30)25-12-11-24(36-23-13-15-34-16-14-23)17-26(25)32(28)22-3-2-4-22;1-3-31-21-13-14-22-23(15-21)29(20-5-4-6-20)25(24(22)27)18-9-11-19(12-10-18)28-26(30)32-16(2)17-7-8-17/h7-12,19-21,24-25H,2-6,14-15,17-18H2,1H3,(H,36,38);12-16,18-22,25H,3-8,10-11H2,1-2H3,(H,32,34);7-12,17-19,22-23H,2-6,13-16H2,1H3,(H,31,33);9-14,17-19,22H,3-8H2,1-2H3,(H,33,35);7-12,17-19,22-23H,2-6,13-16H2,1H3,(H,31,33);9-17,20H,3-8H2,1-2H3,(H,28,30).

What are the key properties of 1-cyclopropylethyl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate?

1-cyclopropylethyl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate has a molecular weight of 3122.32 g/mol, XLogP of 45.65, 42 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropylethyl N-[4-(3-chloro-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-[3-chloro-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-cyclopropylethynyl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-iodo-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(3,3,3-trifluoroprop-1-ynyl)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158030451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).