benzyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;2,2-dimethylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate

C157H174N18O18 — CID 158783194

IUPACbenzyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;2,2-dimethylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate
SMILESCCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCC)cc3n2C(C)C)cc1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC4CCCC4)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OCC)cc3)n(C(C)C)c2c1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OCC(C)(C)C)cc1)n2C1CCC1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OCc3ccccc3)cc1)n2C1CCC1
InChIInChI=1S/C29H27N3O3.2C27H31N3O3.2C25H29N3O3.C24H27N3O3/c1-2-34-24-15-16-27-25(17-24)26(18-30)28(32(27)23-9-6-10-23)21-11-13-22(14-12-21)31-29(33)35-19-20-7-4-3-5-8-20;1-5-32-21-13-14-24-22(15-21)23(16-28)25(30(24)20-7-6-8-20)18-9-11-19(12-10-18)29-26(31)33-17-27(2,3)4;1-4-15-32-22-13-14-23-24(17-28)26(30(18(2)3)25(23)16-22)19-9-11-20(12-10-19)29-27(31)33-21-7-5-6-8-21;1-6-13-30-20-11-12-21-22(15-26)24(28(16(2)3)23(21)14-20)18-7-9-19(10-8-18)27-25(29)31-17(4)5;1-5-13-30-20-11-12-21-22(16-26)24(28(17(3)4)23(21)15-20)18-7-9-19(10-8-18)27-25(29)31-14-6-2;1-5-13-30-19-11-12-20-21(15-25)23(27(16(3)4)22(20)14-19)17-7-9-18(10-8-17)26-24(28)29-6-2/h3-5,7-8,11-17,23H,2,6,9-10,19H2,1H3,(H,31,33);9-15,20H,5-8,17H2,1-4H3,(H,29,31);9-14,16,18,21H,4-8,15H2,1-3H3,(H,29,31);7-12,14,16-17H,6,13H2,1-5H3,(H,27,29);7-12,15,17H,5-6,13-14H2,1-4H3,(H,27,29);7-12,14,16H,5-6,13H2,1-4H3,(H,26,28)
InChIKeyIRIOHDPPUZAZRO-UHFFFAOYSA-N
MW2601.23 g/mol
LogP40.12
Rot. Bonds42

About benzyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;2,2-dimethylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate

benzyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;2,2-dimethylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate (PubChem CID 158783194) has the molecular formula C157H174N18O18 and a molecular weight of 2601.23 g/mol. Its IUPAC name is benzyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;2,2-dimethylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;2,2-dimethylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate
PubChem CID158783194
Molecular FormulaC157H174N18O18
Molecular Weight2601.23 g/mol
Exact Mass2599.33
IUPAC Namebenzyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;2,2-dimethylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate
SMILESCCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCC)cc3n2C(C)C)cc1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC4CCCC4)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OCC)cc3)n(C(C)C)c2c1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OCC(C)(C)C)cc1)n2C1CCC1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OCc3ccccc3)cc1)n2C1CCC1
InChIInChI=1S/C29H27N3O3.2C27H31N3O3.2C25H29N3O3.C24H27N3O3/c1-2-34-24-15-16-27-25(17-24)26(18-30)28(32(27)23-9-6-10-23)21-11-13-22(14-12-21)31-29(33)35-19-20-7-4-3-5-8-20;1-5-32-21-13-14-24-22(15-21)23(16-28)25(30(24)20-7-6-8-20)18-9-11-19(12-10-18)29-26(31)33-17-27(2,3)4;1-4-15-32-22-13-14-23-24(17-28)26(30(18(2)3)25(23)16-22)19-9-11-20(12-10-19)29-27(31)33-21-7-5-6-8-21;1-6-13-30-20-11-12-21-22(15-26)24(28(16(2)3)23(21)14-20)18-7-9-19(10-8-18)27-25(29)31-17(4)5;1-5-13-30-20-11-12-21-22(16-26)24(28(17(3)4)23(21)15-20)18-7-9-19(10-8-18)27-25(29)31-14-6-2;1-5-13-30-19-11-12-20-21(15-25)23(27(16(3)4)22(20)14-19)17-7-9-18(10-8-17)26-24(28)29-6-2/h3-5,7-8,11-17,23H,2,6,9-10,19H2,1H3,(H,31,33);9-15,20H,5-8,17H2,1-4H3,(H,29,31);9-14,16,18,21H,4-8,15H2,1-3H3,(H,29,31);7-12,14,16-17H,6,13H2,1-5H3,(H,27,29);7-12,15,17H,5-6,13-14H2,1-4H3,(H,27,29);7-12,14,16H,5-6,13H2,1-4H3,(H,26,28)
InChIKeyIRIOHDPPUZAZRO-UHFFFAOYSA-N
XLogP40.12
TPSA457.68 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds42
Heavy Atoms193
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002601.23
LogP ≤ 540.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze benzyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;2,2-dimethylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;2,2-dimethylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate?
The IUPAC name of benzyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;2,2-dimethylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate (CID 158783194) is benzyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;2,2-dimethylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;2,2-dimethylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate?
The canonical SMILES for benzyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;2,2-dimethylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate is CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCCC)cc3n2C(C)C)cc1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC4CCCC4)cc3)n(C(C)C)c2c1.CCCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OCC)cc3)n(C(C)C)c2c1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OCC(C)(C)C)cc1)n2C1CCC1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OCc3ccccc3)cc1)n2C1CCC1.
What is the InChIKey of benzyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;2,2-dimethylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate?
The InChIKey is IRIOHDPPUZAZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3.2C27H31N3O3.2C25H29N3O3.C24H27N3O3/c1-2-34-24-15-16-27-25(17-24)26(18-30)28(32(27)23-9-6-10-23)21-11-13-22(14-12-21)31-29(33)35-19-20-7-4-3-5-8-20;1-5-32-21-13-14-24-22(15-21)23(16-28)25(30(24)20-7-6-8-20)18-9-11-19(12-10-18)29-26(31)33-17-27(2,3)4;1-4-15-32-22-13-14-23-24(17-28)26(30(18(2)3)25(23)16-22)19-9-11-20(12-10-19)29-27(31)33-21-7-5-6-8-21;1-6-13-30-20-11-12-21-22(15-26)24(28(16(2)3)23(21)14-20)18-7-9-19(10-8-18)27-25(29)31-17(4)5;1-5-13-30-20-11-12-21-22(16-26)24(28(17(3)4)23(21)15-20)18-7-9-19(10-8-18)27-25(29)31-14-6-2;1-5-13-30-19-11-12-20-21(15-25)23(27(16(3)4)22(20)14-19)17-7-9-18(10-8-17)26-24(28)29-6-2/h3-5,7-8,11-17,23H,2,6,9-10,19H2,1H3,(H,31,33);9-15,20H,5-8,17H2,1-4H3,(H,29,31);9-14,16,18,21H,4-8,15H2,1-3H3,(H,29,31);7-12,14,16-17H,6,13H2,1-5H3,(H,27,29);7-12,15,17H,5-6,13-14H2,1-4H3,(H,27,29);7-12,14,16H,5-6,13H2,1-4H3,(H,26,28).
What are the key properties of benzyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;2,2-dimethylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate?
benzyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;2,2-dimethylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate has a molecular weight of 2601.23 g/mol, XLogP of 40.12, 42 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;2,2-dimethylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;ethyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-propan-2-yl-6-propoxyindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 158783194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).