cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;methane;propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate

C131H145N15O15 — CID 158058530

IUPACcyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;methane;propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate
SMILESC.C.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CC2CC2)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CC2CC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC4CCCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OCC4CC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/2C27H29N3O3.C26H27N3O3.C25H27N3O3.C24H25N3O3.2CH4/c1-3-32-22-13-14-23-24(16-28)26(30(25(23)15-22)21-5-4-6-21)19-9-11-20(12-10-19)29-27(31)33-17(2)18-7-8-18;1-2-32-22-14-15-23-24(17-28)26(30(25(23)16-22)20-6-5-7-20)18-10-12-19(13-11-18)29-27(31)33-21-8-3-4-9-21;1-2-31-21-12-13-22-23(15-27)25(29(24(22)14-21)20-4-3-5-20)18-8-10-19(11-9-18)28-26(30)32-16-17-6-7-17;1-3-13-31-25(29)27-19-9-7-18(8-10-19)24-22(15-26)21-12-11-20(30-4-2)14-23(21)28(24)16-17-5-6-17;1-3-29-19-11-12-20-21(14-25)23(27(22(20)13-19)15-16-5-6-16)17-7-9-18(10-8-17)26-24(28)30-4-2;;/h9-15,17-18,21H,3-8H2,1-2H3,(H,29,31);10-16,20-21H,2-9H2,1H3,(H,29,31);8-14,17,20H,2-7,16H2,1H3,(H,28,30);7-12,14,17H,3-6,13,16H2,1-2H3,(H,27,29);7-13,16H,3-6,15H2,1-2H3,(H,26,28);2*1H4
InChIKeyFKJBSPCUEMBZGS-UHFFFAOYSA-N
MW2169.69 g/mol
LogP32.48
Rot. Bonds35

About cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;methane;propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate

cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;methane;propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate (PubChem CID 158058530) has the molecular formula C131H145N15O15 and a molecular weight of 2169.69 g/mol. Its IUPAC name is cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;methane;propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;methane;propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate
PubChem CID158058530
Molecular FormulaC131H145N15O15
Molecular Weight2169.69 g/mol
Exact Mass2168.10
IUPAC Namecyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;methane;propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate
SMILESC.C.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CC2CC2)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CC2CC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC4CCCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OCC4CC4)cc3)n(C3CCC3)c2c1
InChIInChI=1S/2C27H29N3O3.C26H27N3O3.C25H27N3O3.C24H25N3O3.2CH4/c1-3-32-22-13-14-23-24(16-28)26(30(25(23)15-22)21-5-4-6-21)19-9-11-20(12-10-19)29-27(31)33-17(2)18-7-8-18;1-2-32-22-14-15-23-24(17-28)26(30(25(23)16-22)20-6-5-7-20)18-10-12-19(13-11-18)29-27(31)33-21-8-3-4-9-21;1-2-31-21-12-13-22-23(15-27)25(29(24(22)14-21)20-4-3-5-20)18-8-10-19(11-9-18)28-26(30)32-16-17-6-7-17;1-3-13-31-25(29)27-19-9-7-18(8-10-19)24-22(15-26)21-12-11-20(30-4-2)14-23(21)28(24)16-17-5-6-17;1-3-29-19-11-12-20-21(14-25)23(27(22(20)13-19)15-16-5-6-16)17-7-9-18(10-8-17)26-24(28)30-4-2;;/h9-15,17-18,21H,3-8H2,1-2H3,(H,29,31);10-16,20-21H,2-9H2,1H3,(H,29,31);8-14,17,20H,2-7,16H2,1H3,(H,28,30);7-12,14,17H,3-6,13,16H2,1-2H3,(H,27,29);7-13,16H,3-6,15H2,1-2H3,(H,26,28);2*1H4
InChIKeyFKJBSPCUEMBZGS-UHFFFAOYSA-N
XLogP32.48
TPSA381.40 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds35
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002169.69
LogP ≤ 532.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;methane;propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;methane;propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate?
The IUPAC name of cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;methane;propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate (CID 158058530) is cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;methane;propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate.
What is the SMILES notation for cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;methane;propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate?
The canonical SMILES for cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;methane;propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate is C.C.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CC2CC2)cc1.CCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CC2CC2)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC4CCCC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OCC4CC4)cc3)n(C3CCC3)c2c1.
What is the InChIKey of cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;methane;propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate?
The InChIKey is FKJBSPCUEMBZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H29N3O3.C26H27N3O3.C25H27N3O3.C24H25N3O3.2CH4/c1-3-32-22-13-14-23-24(16-28)26(30(25(23)15-22)21-5-4-6-21)19-9-11-20(12-10-19)29-27(31)33-17(2)18-7-8-18;1-2-32-22-14-15-23-24(17-28)26(30(25(23)16-22)20-6-5-7-20)18-10-12-19(13-11-18)29-27(31)33-21-8-3-4-9-21;1-2-31-21-12-13-22-23(15-27)25(29(24(22)14-21)20-4-3-5-20)18-8-10-19(11-9-18)28-26(30)32-16-17-6-7-17;1-3-13-31-25(29)27-19-9-7-18(8-10-19)24-22(15-26)21-12-11-20(30-4-2)14-23(21)28(24)16-17-5-6-17;1-3-29-19-11-12-20-21(14-25)23(27(22(20)13-19)15-16-5-6-16)17-7-9-18(10-8-17)26-24(28)30-4-2;;/h9-15,17-18,21H,3-8H2,1-2H3,(H,29,31);10-16,20-21H,2-9H2,1H3,(H,29,31);8-14,17,20H,2-7,16H2,1H3,(H,28,30);7-12,14,17H,3-6,13,16H2,1-2H3,(H,27,29);7-13,16H,3-6,15H2,1-2H3,(H,26,28);2*1H4.
What are the key properties of cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;methane;propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate?
cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;methane;propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate has a molecular weight of 2169.69 g/mol, XLogP of 32.48, 35 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;cyclopropylmethyl N-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate;methane;propyl N-[4-[3-cyano-1-(cyclopropylmethyl)-6-ethoxyindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 158058530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).