C127H136F3N9O11 — CID 161058390
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(4-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-quinolin-7-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9H-fluoren-9-yl)acetamide;N-quinolin-7-yl-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 161058390) has the molecular formula C127H136F3N9O11 and a molecular weight of 2021.53 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(4-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-quinolin-7-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9H-fluoren-9-yl)acetamide;N-quinolin-7-yl-3-[4-(trifluoromethyl)phenyl]propanamide.
| Compound Name | N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(4-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-quinolin-7-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9H-fluoren-9-yl)acetamide;N-quinolin-7-yl-3-[4-(trifluoromethyl)phenyl]propanamide |
|---|---|
| PubChem CID | 161058390 |
| Molecular Formula | C127H136F3N9O11 |
| Molecular Weight | 2021.53 g/mol |
| Exact Mass | 2020.03 |
| IUPAC Name | N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-tert-butylphenyl)propanamide;3-(4-tert-butylphenyl)-N-(3-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-(4-methoxyphenyl)propanamide;3-(4-tert-butylphenyl)-N-quinolin-7-ylpropanamide;N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9H-fluoren-9-yl)acetamide;N-quinolin-7-yl-3-[4-(trifluoromethyl)phenyl]propanamide |
| SMILES | CC(=O)N1CCc2cc(NC(=O)CCc3ccc(C(C)(C)C)cc3)ccc21.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3cccnc3c2)cc1.COc1ccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)cc1.COc1cccc(NC(=O)CCc2ccc(C(C)(C)C)cc2)c1.O=C(CC1c2ccccc2-c2ccccc21)Nc1ccc2c(c1)OCCO2.O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2cccnc2c1 |
| InChI | InChI=1S/C23H28N2O2.C23H19NO3.C22H24N2O.2C20H25NO2.C19H15F3N2O/c1-16(26)25-14-13-18-15-20(10-11-21(18)25)24-22(27)12-7-17-5-8-19(9-6-17)23(2,3)4;25-23(24-15-9-10-21-22(13-15)27-12-11-26-21)14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20;1-22(2,3)18-10-6-16(7-11-18)8-13-21(25)24-19-12-9-17-5-4-14-23-20(17)15-19;1-20(2,3)16-8-5-15(6-9-16)7-14-19(22)21-17-10-12-18(23-4)13-11-17;1-20(2,3)16-11-8-15(9-12-16)10-13-19(22)21-17-6-5-7-18(14-17)23-4;20-19(21,22)15-7-3-13(4-8-15)5-10-18(25)24-16-9-6-14-2-1-11-23-17(14)12-16/h5-6,8-11,15H,7,12-14H2,1-4H3,(H,24,27);1-10,13,20H,11-12,14H2,(H,24,25);4-7,9-12,14-15H,8,13H2,1-3H3,(H,24,25);5-6,8-13H,7,14H2,1-4H3,(H,21,22);5-9,11-12,14H,10,13H2,1-4H3,(H,21,22);1-4,6-9,11-12H,5,10H2,(H,24,25) |
| InChIKey | UDBIIHSSHSEQMS-UHFFFAOYSA-N |
| XLogP | 28.12 |
| TPSA | 257.61 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 150 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2021.53 |
| LogP ≤ 5 | 28.12 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 13 |