C135H164N14O13 — CID 159309157
3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-methoxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide (PubChem CID 159309157) has the molecular formula C135H164N14O13 and a molecular weight of 2190.88 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-methoxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide.
| Compound Name | 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-methoxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide |
|---|---|
| PubChem CID | 159309157 |
| Molecular Formula | C135H164N14O13 |
| Molecular Weight | 2190.88 g/mol |
| Exact Mass | 2189.26 |
| IUPAC Name | 3-(4-tert-butylphenyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide;3-(4-tert-butylphenyl)-N-[3-(hydroxymethyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]propanamide;3-(4-tert-butylphenyl)-N-[1-(2-methoxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[1-(2-hydroxyethyl)indol-5-yl]propanamide;3-(6-tert-butyl-3-pyridinyl)-N-[2-(hydroxymethyl)-1H-indol-5-yl]propanamide |
| SMILES | CC(C)(C)c1ccc(CCC(=O)Nc2ccc3[nH]c(CO)cc3c2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3[nH]c(CO)cc3c2)cn1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)C(CO)C3)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(ccn3CCO)c2)cc1.CC(C)(C)c1ccc(CCC(=O)Nc2ccc3c(ccn3CCO)c2)cn1.COCCn1ccc2cc(NC(=O)CCc3ccc(C(C)(C)C)cc3)ccc21 |
| InChI | InChI=1S/C24H30N2O2.C23H28N2O3.C23H28N2O2.C22H27N3O2.C22H26N2O2.C21H25N3O2/c1-24(2,3)20-8-5-18(6-9-20)7-12-23(27)25-21-10-11-22-19(17-21)13-14-26(22)15-16-28-4;1-23(2,3)18-8-4-15(5-9-18)6-11-21(27)24-19-10-7-16-12-17(14-26)22(28)25-20(16)13-19;1-23(2,3)19-7-4-17(5-8-19)6-11-22(27)24-20-9-10-21-18(16-20)12-13-25(21)14-15-26;1-22(2,3)20-8-4-16(15-23-20)5-9-21(27)24-18-6-7-19-17(14-18)10-11-25(19)12-13-26;1-22(2,3)17-7-4-15(5-8-17)6-11-21(26)24-18-9-10-20-16(12-18)13-19(14-25)23-20;1-21(2,3)19-8-4-14(12-22-19)5-9-20(26)24-16-6-7-18-15(10-16)11-17(13-25)23-18/h5-6,8-11,13-14,17H,7,12,15-16H2,1-4H3,(H,25,27);4-5,7-10,13,17,26H,6,11-12,14H2,1-3H3,(H,24,27)(H,25,28);4-5,7-10,12-13,16,26H,6,11,14-15H2,1-3H3,(H,24,27);4,6-8,10-11,14-15,26H,5,9,12-13H2,1-3H3,(H,24,27);4-5,7-10,12-13,23,25H,6,11,14H2,1-3H3,(H,24,26);4,6-8,10-12,23,25H,5,9,13H2,1-3H3,(H,24,26) |
| InChIKey | LCHSDHCJYBJOQR-UHFFFAOYSA-N |
| XLogP | 25.67 |
| TPSA | 386.23 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 162 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2190.88 |
| LogP ≤ 5 | 25.67 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 18 |