C157H174N18O18 — CID 158783194
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.
| Compound Name | 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 |
| Molecular Formula | C157H174N18O18 |
| Molecular Weight | 2601.23 g/mol |
| Exact Mass | 2599.33 |
| IUPAC Name | 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 |
| SMILES | 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 |
| InChI | 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) |
| InChIKey | IRIOHDPPUZAZRO-UHFFFAOYSA-N |
| XLogP | 40.12 |
| TPSA | 457.68 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 193 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2601.23 |
| LogP ≤ 5 | 40.12 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'} |
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