C159H170N18O21 — CID 162168560
cyclobutylmethyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-methoxypropan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;(1-methylcyclopropyl)methyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;[(3S)-oxolan-3-yl] N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate (PubChem CID 162168560) has the molecular formula C159H170N18O21 and a molecular weight of 2669.21 g/mol. Its IUPAC name is cyclobutylmethyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-methoxypropan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;(1-methylcyclopropyl)methyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;[(3S)-oxolan-3-yl] N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate.
| Compound Name | cyclobutylmethyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-methoxypropan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;(1-methylcyclopropyl)methyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;[(3S)-oxolan-3-yl] N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate |
|---|---|
| PubChem CID | 162168560 |
| Molecular Formula | C159H170N18O21 |
| Molecular Weight | 2669.21 g/mol |
| Exact Mass | 2667.28 |
| IUPAC Name | cyclobutylmethyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-cyclopropylethyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;1-methoxypropan-2-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;(1-methylcyclopropyl)methyl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;[(3S)-oxolan-3-yl] N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate;oxolan-3-yl N-[4-(3-cyano-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate |
| SMILES | CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC(C)C3CC3)cc1)n2C1CCC1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC(C)COC)cc1)n2C1CCC1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OC3CCOC3)cc1)n2C1CCC1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OCC3(C)CC3)cc1)n2C1CCC1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)OCC3CCC3)cc1)n2C1CCC1.CCOc1ccc2c(c1)c(C#N)c(-c1ccc(NC(=O)O[C@H]3CCOC3)cc1)n2C1CCC1 |
| InChI | InChI=1S/3C27H29N3O3.2C26H27N3O4.C26H29N3O4/c1-3-32-21-11-12-24-22(15-21)23(16-28)25(30(24)20-5-4-6-20)18-7-9-19(10-8-18)29-26(31)33-17-27(2)13-14-27;1-3-32-22-13-14-25-23(15-22)24(16-28)26(30(25)21-5-4-6-21)19-9-11-20(12-10-19)29-27(31)33-17(2)18-7-8-18;1-2-32-22-13-14-25-23(15-22)24(16-28)26(30(25)21-7-4-8-21)19-9-11-20(12-10-19)29-27(31)33-17-18-5-3-6-18;2*1-2-32-20-10-11-24-22(14-20)23(15-27)25(29(24)19-4-3-5-19)17-6-8-18(9-7-17)28-26(30)33-21-12-13-31-16-21;1-4-32-21-12-13-24-22(14-21)23(15-27)25(29(24)20-6-5-7-20)18-8-10-19(11-9-18)28-26(30)33-17(2)16-31-3/h7-12,15,20H,3-6,13-14,17H2,1-2H3,(H,29,31);9-15,17-18,21H,3-8H2,1-2H3,(H,29,31);9-15,18,21H,2-8,17H2,1H3,(H,29,31);2*6-11,14,19,21H,2-5,12-13,16H2,1H3,(H,28,30);8-14,17,20H,4-7,16H2,1-3H3,(H,28,30)/t;;;21-;;/m...0../s1 |
| InChIKey | ZNLZDJPZBKEHAQ-MCMBKQPWSA-N |
| XLogP | 37.12 |
| TPSA | 485.37 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 198 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2669.21 |
| LogP ≤ 5 | 37.12 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 33 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'} |
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