C154H166N18O18 — CID 159487995
butyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate (PubChem CID 159487995) has the molecular formula C154H166N18O18 and a molecular weight of 2557.13 g/mol. Its IUPAC name is butyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate.
| Compound Name | butyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate |
|---|---|
| PubChem CID | 159487995 |
| Molecular Formula | C154H166N18O18 |
| Molecular Weight | 2557.13 g/mol |
| Exact Mass | 2555.26 |
| IUPAC Name | butyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;cyclopentyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;2-methylpropyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;prop-2-enyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate |
| SMILES | C=CCOC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC)ccc3n2C2CCC2)cc1.CCCCOC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC)ccc3n2C2CCC2)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3cc(OCC)ccc3n2C2CCC2)cc1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC(C)C)cc1)n2C1CCC1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC3CCCC3)cc1)n2C1CCC1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OCC(C)C)cc1)n2C1CCC1 |
| InChI | InChI=1S/C27H29N3O3.2C26H29N3O3.2C25H27N3O3.C25H25N3O3/c1-2-32-22-14-15-25-23(16-22)24(17-28)26(30(25)20-6-5-7-20)18-10-12-19(13-11-18)29-27(31)33-21-8-3-4-9-21;1-4-31-21-12-13-24-22(14-21)23(15-27)25(29(24)20-6-5-7-20)18-8-10-19(11-9-18)28-26(30)32-16-17(2)3;1-3-5-15-32-26(30)28-19-11-9-18(10-12-19)25-23(17-27)22-16-21(31-4-2)13-14-24(22)29(25)20-7-6-8-20;1-4-30-20-12-13-23-21(14-20)22(15-26)24(28(23)19-6-5-7-19)17-8-10-18(11-9-17)27-25(29)31-16(2)3;2*1-3-14-31-25(29)27-18-10-8-17(9-11-18)24-22(16-26)21-15-20(30-4-2)12-13-23(21)28(24)19-6-5-7-19/h10-16,20-21H,2-9H2,1H3,(H,29,31);8-14,17,20H,4-7,16H2,1-3H3,(H,28,30);9-14,16,20H,3-8,15H2,1-2H3,(H,28,30);8-14,16,19H,4-7H2,1-3H3,(H,27,29);8-13,15,19H,3-7,14H2,1-2H3,(H,27,29);3,8-13,15,19H,1,4-7,14H2,2H3,(H,27,29) |
| InChIKey | LXVCUBZAYFLNRR-UHFFFAOYSA-N |
| XLogP | 38.52 |
| TPSA | 457.68 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 190 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2557.13 |
| LogP ≤ 5 | 38.52 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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