1-cyclobutyl-6-ethoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-3-carboxylic acid;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-formyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate

C159H178F10N12O24 — CID 157391673

About 1-cyclobutyl-6-ethoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-3-carboxylic acid;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-formyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate

1-cyclobutyl-6-ethoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-3-carboxylic acid;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-formyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate (PubChem CID 157391673) has the molecular formula C159H178F10N12O24 and a molecular weight of 2831.21 g/mol. Its IUPAC name is 1-cyclobutyl-6-ethoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-3-carboxylic acid;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-formyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: 1-cyclobutyl-6-ethoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-3-carboxylic acid;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-formyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate
• PubChem CID: 157391673
• Molecular Formula: C159H178F10N12O24
• Molecular Weight: 2831.21 g/mol
• Exact Mass: 2829.29
• IUPAC Name: 1-cyclobutyl-6-ethoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-3-carboxylic acid;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-formyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate
• SMILES: CC(C)OC(=O)Nc1ccc(-c2c(C(F)(F)F)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C(F)F)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C=O)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CCOc1ccc2c(C(=O)O)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C(F)(F)F)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C(F)F)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1
• InChI: InChI=1S/C28H31F3N2O4.C28H32F2N2O4.C28H32N2O5.C25H27F3N2O3.C25H28F2N2O3.C25H28N2O5/c1-17(2)36-27(34)32-19-8-6-18(7-9-19)26-25(28(29,30)31)23-11-10-22(37-21-12-14-35-15-13-21)16-24(23)33(26)20-4-3-5-20;1-17(2)35-28(33)31-19-8-6-18(7-9-19)26-25(27(29)30)23-11-10-22(36-21-12-14-34-15-13-21)16-24(23)32(26)20-4-3-5-20;1-18(2)34-28(32)29-20-8-6-19(7-9-20)27-25(17-31)24-11-10-23(35-22-12-14-33-15-13-22)16-26(24)30(27)21-4-3-5-21;1-4-32-19-12-13-20-21(14-19)30(18-6-5-7-18)23(22(20)25(26,27)28)16-8-10-17(11-9-16)29-24(31)33-15(2)3;1-4-31-19-12-13-20-21(14-19)29(18-6-5-7-18)23(22(20)24(26)27)16-8-10-17(11-9-16)28-25(30)32-15(2)3;1-4-31-19-12-13-20-21(14-19)27(18-6-5-7-18)23(22(20)24(28)29)16-8-10-17(11-9-16)26-25(30)32-15(2)3/h6-11,16-17,20-21H,3-5,12-15H2,1-2H3,(H,32,34);6-11,16-17,20-21,27H,3-5,12-15H2,1-2H3,(H,31,33);6-11,16-18,21-22H,3-5,12-15H2,1-2H3,(H,29,32);8-15,18H,4-7H2,1-3H3,(H,29,31);8-15,18,24H,4-7H2,1-3H3,(H,28,30);8-15,18H,4-7H2,1-3H3,(H,26,30)(H,28,29)
• InChIKey: BMBQYUKTJODEHL-UHFFFAOYSA-N
• XLogP: 42.23
• TPSA: 397.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 40
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2831.21
LogP ≤ 5	42.23
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-6-ethoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-3-carboxylic acid;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-formyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate?

The IUPAC name of 1-cyclobutyl-6-ethoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-3-carboxylic acid;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-formyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate (CID 157391673) is 1-cyclobutyl-6-ethoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-3-carboxylic acid;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-formyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate.

What is the SMILES notation for 1-cyclobutyl-6-ethoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-3-carboxylic acid;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-formyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate?

The canonical SMILES for 1-cyclobutyl-6-ethoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-3-carboxylic acid;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-formyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(C(F)(F)F)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C(F)F)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(C)OC(=O)Nc1ccc(-c2c(C=O)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CCOc1ccc2c(C(=O)O)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C(F)(F)F)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C(F)F)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.

What is the InChIKey of 1-cyclobutyl-6-ethoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-3-carboxylic acid;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-formyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate?

The InChIKey is BMBQYUKTJODEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N2O4.C28H32F2N2O4.C28H32N2O5.C25H27F3N2O3.C25H28F2N2O3.C25H28N2O5/c1-17(2)36-27(34)32-19-8-6-18(7-9-19)26-25(28(29,30)31)23-11-10-22(37-21-12-14-35-15-13-21)16-24(23)33(26)20-4-3-5-20;1-17(2)35-28(33)31-19-8-6-18(7-9-19)26-25(27(29)30)23-11-10-22(36-21-12-14-34-15-13-21)16-24(23)32(26)20-4-3-5-20;1-18(2)34-28(32)29-20-8-6-19(7-9-20)27-25(17-31)24-11-10-23(35-22-12-14-33-15-13-22)16-26(24)30(27)21-4-3-5-21;1-4-32-19-12-13-20-21(14-19)30(18-6-5-7-18)23(22(20)25(26,27)28)16-8-10-17(11-9-16)29-24(31)33-15(2)3;1-4-31-19-12-13-20-21(14-19)29(18-6-5-7-18)23(22(20)24(26)27)16-8-10-17(11-9-16)28-25(30)32-15(2)3;1-4-31-19-12-13-20-21(14-19)27(18-6-5-7-18)23(22(20)24(28)29)16-8-10-17(11-9-16)26-25(30)32-15(2)3/h6-11,16-17,20-21H,3-5,12-15H2,1-2H3,(H,32,34);6-11,16-17,20-21,27H,3-5,12-15H2,1-2H3,(H,31,33);6-11,16-18,21-22H,3-5,12-15H2,1-2H3,(H,29,32);8-15,18H,4-7H2,1-3H3,(H,29,31);8-15,18,24H,4-7H2,1-3H3,(H,28,30);8-15,18H,4-7H2,1-3H3,(H,26,30)(H,28,29).

What are the key properties of 1-cyclobutyl-6-ethoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-3-carboxylic acid;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-formyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate?

1-cyclobutyl-6-ethoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-3-carboxylic acid;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-formyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate has a molecular weight of 2831.21 g/mol, XLogP of 42.23, 40 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclobutyl-6-ethoxy-2-[4-(propan-2-yloxycarbonylamino)phenyl]indole-3-carboxylic acid;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-formyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(trifluoromethyl)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 157391673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).