tert-butyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;butyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate

C147H154F2N18O18 — CID 157131293

IUPACtert-butyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;butyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESCC(C)COC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)cc1.CCCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCC2)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCC2)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)(C)C)cc3)n(C3CCC3)c2c1.COc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C26H29N3O3.C25H25F2N3O3.C25H27N3O3.2C24H25N3O3.C23H23N3O3/c1-5-31-20-13-14-21-22(16-27)24(29(23(21)15-20)19-7-6-8-19)17-9-11-18(12-10-17)28-25(30)32-26(2,3)4;1-15(2)14-32-25(31)29-18-7-5-17(6-8-18)23-21(12-28)20-10-9-19(33-24(26)27)11-22(20)30(23)13-16-3-4-16;1-3-4-14-31-25(29)27-18-10-8-17(9-11-18)24-22(16-26)21-13-12-20(30-2)15-23(21)28(24)19-6-5-7-19;1-15(2)30-24(28)26-17-9-7-16(8-10-17)23-21(14-25)20-12-11-19(29-3)13-22(20)27(23)18-5-4-6-18;1-3-13-30-24(28)26-17-9-7-16(8-10-17)23-21(15-25)20-12-11-19(29-2)14-22(20)27(23)18-5-4-6-18;1-3-29-23(27)25-16-9-7-15(8-10-16)22-20(14-24)19-12-11-18(28-2)13-21(19)26(22)17-5-4-6-17/h9-15,19H,5-8H2,1-4H3,(H,28,30);5-11,15-16,24H,3-4,13-14H2,1-2H3,(H,29,31);8-13,15,19H,3-7,14H2,1-2H3,(H,27,29);7-13,15,18H,4-6H2,1-3H3,(H,26,28);7-12,14,18H,3-6,13H2,1-2H3,(H,26,28);7-13,17H,3-6H2,1-2H3,(H,25,27)
InChIKeyAJCLKBARYWLHQU-UHFFFAOYSA-N
MW2498.95 g/mol
LogP36.53
Rot. Bonds36

About tert-butyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;butyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate

tert-butyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;butyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate (PubChem CID 157131293) has the molecular formula C147H154F2N18O18 and a molecular weight of 2498.95 g/mol. Its IUPAC name is tert-butyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;butyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;butyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate
PubChem CID157131293
Molecular FormulaC147H154F2N18O18
Molecular Weight2498.95 g/mol
Exact Mass2497.17
IUPAC Nametert-butyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;butyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate
SMILESCC(C)COC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)cc1.CCCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCC2)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCC2)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)(C)C)cc3)n(C3CCC3)c2c1.COc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1
InChIInChI=1S/C26H29N3O3.C25H25F2N3O3.C25H27N3O3.2C24H25N3O3.C23H23N3O3/c1-5-31-20-13-14-21-22(16-27)24(29(23(21)15-20)19-7-6-8-19)17-9-11-18(12-10-17)28-25(30)32-26(2,3)4;1-15(2)14-32-25(31)29-18-7-5-17(6-8-18)23-21(12-28)20-10-9-19(33-24(26)27)11-22(20)30(23)13-16-3-4-16;1-3-4-14-31-25(29)27-18-10-8-17(9-11-18)24-22(16-26)21-13-12-20(30-2)15-23(21)28(24)19-6-5-7-19;1-15(2)30-24(28)26-17-9-7-16(8-10-17)23-21(14-25)20-12-11-19(29-3)13-22(20)27(23)18-5-4-6-18;1-3-13-30-24(28)26-17-9-7-16(8-10-17)23-21(15-25)20-12-11-19(29-2)14-22(20)27(23)18-5-4-6-18;1-3-29-23(27)25-16-9-7-15(8-10-16)22-20(14-24)19-12-11-18(28-2)13-21(19)26(22)17-5-4-6-17/h9-15,19H,5-8H2,1-4H3,(H,28,30);5-11,15-16,24H,3-4,13-14H2,1-2H3,(H,29,31);8-13,15,19H,3-7,14H2,1-2H3,(H,27,29);7-13,15,18H,4-6H2,1-3H3,(H,26,28);7-12,14,18H,3-6,13H2,1-2H3,(H,26,28);7-13,17H,3-6H2,1-2H3,(H,25,27)
InChIKeyAJCLKBARYWLHQU-UHFFFAOYSA-N
XLogP36.53
TPSA457.68 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds36
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002498.95
LogP ≤ 536.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze tert-butyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;butyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;butyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;butyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate (CID 157131293) is tert-butyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;butyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;butyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;butyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate is CC(C)COC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)F)cc3n2CC2CC2)cc1.CCCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCC2)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCC2)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2C2CCC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)(C)C)cc3)n(C3CCC3)c2c1.COc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.
What is the InChIKey of tert-butyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;butyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate?
The InChIKey is AJCLKBARYWLHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3.C25H25F2N3O3.C25H27N3O3.2C24H25N3O3.C23H23N3O3/c1-5-31-20-13-14-21-22(16-27)24(29(23(21)15-20)19-7-6-8-19)17-9-11-18(12-10-17)28-25(30)32-26(2,3)4;1-15(2)14-32-25(31)29-18-7-5-17(6-8-18)23-21(12-28)20-10-9-19(33-24(26)27)11-22(20)30(23)13-16-3-4-16;1-3-4-14-31-25(29)27-18-10-8-17(9-11-18)24-22(16-26)21-13-12-20(30-2)15-23(21)28(24)19-6-5-7-19;1-15(2)30-24(28)26-17-9-7-16(8-10-17)23-21(14-25)20-12-11-19(29-3)13-22(20)27(23)18-5-4-6-18;1-3-13-30-24(28)26-17-9-7-16(8-10-17)23-21(15-25)20-12-11-19(29-2)14-22(20)27(23)18-5-4-6-18;1-3-29-23(27)25-16-9-7-15(8-10-16)22-20(14-24)19-12-11-18(28-2)13-21(19)26(22)17-5-4-6-17/h9-15,19H,5-8H2,1-4H3,(H,28,30);5-11,15-16,24H,3-4,13-14H2,1-2H3,(H,29,31);8-13,15,19H,3-7,14H2,1-2H3,(H,27,29);7-13,15,18H,4-6H2,1-3H3,(H,26,28);7-12,14,18H,3-6,13H2,1-2H3,(H,26,28);7-13,17H,3-6H2,1-2H3,(H,25,27).
What are the key properties of tert-butyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;butyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate?
tert-butyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;butyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate has a molecular weight of 2498.95 g/mol, XLogP of 36.53, 36 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;butyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-(difluoromethoxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-6-methoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 157131293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).