C238H235FN24O24 — CID 161035545
butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;(4-fluorophenyl)methyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1R)-1-(4-methylphenyl)ethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-(4-methylphenyl)ethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-(4-methylphenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;(4-methylphenyl)methyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate (PubChem CID 161035545) has the molecular formula C238H235FN24O24 and a molecular weight of 3834.64 g/mol. Its IUPAC name is butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;(4-fluorophenyl)methyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1R)-1-(4-methylphenyl)ethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-(4-methylphenyl)ethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-(4-methylphenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;(4-methylphenyl)methyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate.
| Compound Name | butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;(4-fluorophenyl)methyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1R)-1-(4-methylphenyl)ethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-(4-methylphenyl)ethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-(4-methylphenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;(4-methylphenyl)methyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate |
|---|---|
| PubChem CID | 161035545 |
| Molecular Formula | C238H235FN24O24 |
| Molecular Weight | 3834.64 g/mol |
| Exact Mass | 3831.79 |
| IUPAC Name | butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;(4-fluorophenyl)methyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1R)-1-(4-methylphenyl)ethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-(4-methylphenyl)ethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-(4-methylphenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;(4-methylphenyl)methyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1R)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylethyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate |
| SMILES | CCCCOC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1.C[C@@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1.C[C@H](OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)c1ccccc1.Cc1ccc(C(C)OC(=O)NCc2ccccc2-c2ccccc2C(=O)NCCc2ccccn2)cc1.Cc1ccc(COC(=O)NCc2ccccc2-c2ccccc2C(=O)NCCc2ccccn2)cc1.Cc1ccc([C@@H](C)OC(=O)NCc2ccccc2-c2ccccc2C(=O)NCCc2ccccn2)cc1.Cc1ccc([C@H](C)OC(=O)NCc2ccccc2-c2ccccc2C(=O)NCCc2ccccn2)cc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)OCc1ccc(F)cc1 |
| InChI | InChI=1S/3C31H31N3O3.3C30H29N3O3.C29H26FN3O3.C26H29N3O3/c3*1-22-14-16-24(17-15-22)23(2)37-31(36)34-21-25-9-3-4-11-27(25)28-12-5-6-13-29(28)30(35)33-20-18-26-10-7-8-19-32-26;1-22-13-15-23(16-14-22)21-36-30(35)33-20-24-8-2-3-10-26(24)27-11-4-5-12-28(27)29(34)32-19-17-25-9-6-7-18-31-25;2*1-22(23-11-3-2-4-12-23)36-30(35)33-21-24-13-5-6-15-26(24)27-16-7-8-17-28(27)29(34)32-20-18-25-14-9-10-19-31-25;30-23-14-12-21(13-15-23)20-36-29(35)33-19-22-7-1-2-9-25(22)26-10-3-4-11-27(26)28(34)32-18-16-24-8-5-6-17-31-24;1-2-3-18-32-26(31)29-19-20-10-4-5-12-22(20)23-13-6-7-14-24(23)25(30)28-17-15-21-11-8-9-16-27-21/h3*3-17,19,23H,18,20-21H2,1-2H3,(H,33,35)(H,34,36);2-16,18H,17,19-21H2,1H3,(H,32,34)(H,33,35);2*2-17,19,22H,18,20-21H2,1H3,(H,32,34)(H,33,35);1-15,17H,16,18-20H2,(H,32,34)(H,33,35);4-14,16H,2-3,15,17-19H2,1H3,(H,28,30)(H,29,31)/t2*23-;;;2*22-;;/m10..10../s1 |
| InChIKey | UAEYPLOOUOWDJV-NBXAXGGZSA-N |
| XLogP | 44.96 |
| TPSA | 642.56 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 73 |
| Heavy Atoms | 287 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3834.64 |
| LogP ≤ 5 | 44.96 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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