C171H235N21O10 — CID 158126018
N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-9-pentylcarbazole-3-carboxamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-9-propylcarbazole-3-carboxamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidin-3-yl]methyl]-9-pentylcarbazole-3-carboxamide;9-butyl-N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbazole-3-carboxamide;N-(cyclohexylmethyl)-9-pentylcarbazole-3-carboxamide;N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-9-pentylcarbazole-3-carboxamide (PubChem CID 158126018) has the molecular formula C171H235N21O10 and a molecular weight of 2744.90 g/mol. Its IUPAC name is N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-9-pentylcarbazole-3-carboxamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-9-propylcarbazole-3-carboxamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidin-3-yl]methyl]-9-pentylcarbazole-3-carboxamide;9-butyl-N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbazole-3-carboxamide;N-(cyclohexylmethyl)-9-pentylcarbazole-3-carboxamide;N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-9-pentylcarbazole-3-carboxamide.
| Compound Name | N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-9-pentylcarbazole-3-carboxamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-9-propylcarbazole-3-carboxamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidin-3-yl]methyl]-9-pentylcarbazole-3-carboxamide;9-butyl-N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbazole-3-carboxamide;N-(cyclohexylmethyl)-9-pentylcarbazole-3-carboxamide;N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-9-pentylcarbazole-3-carboxamide |
|---|---|
| PubChem CID | 158126018 |
| Molecular Formula | C171H235N21O10 |
| Molecular Weight | 2744.90 g/mol |
| Exact Mass | 2742.85 |
| IUPAC Name | N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-9-pentylcarbazole-3-carboxamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-9-propylcarbazole-3-carboxamide;N-[[1-[2-(tert-butylamino)-2-oxoethyl]pyrrolidin-3-yl]methyl]-9-pentylcarbazole-3-carboxamide;9-butyl-N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]carbazole-3-carboxamide;N-(cyclohexylmethyl)-9-pentylcarbazole-3-carboxamide;N-[[1-(3,3-dimethylbutyl)piperidin-4-yl]methyl]-9-pentylcarbazole-3-carboxamide |
| SMILES | CCCCCn1c2ccccc2c2cc(C(=O)NCC3CCCCC3)ccc21.CCCCCn1c2ccccc2c2cc(C(=O)NCC3CCN(CC(=O)NC(C)(C)C)C3)ccc21.CCCCCn1c2ccccc2c2cc(C(=O)NCC3CCN(CC(=O)NC(C)(C)C)CC3)ccc21.CCCCCn1c2ccccc2c2cc(C(=O)NCC3CCN(CCC(C)(C)C)CC3)ccc21.CCCCn1c2ccccc2c2cc(C(=O)NCC3CCN(CC(=O)NC(C)(C)C)CC3)ccc21.CCCn1c2ccccc2c2cc(C(=O)NCC3CCN(CC(=O)NC(C)(C)C)CC3)ccc21 |
| InChI | InChI=1S/C30H42N4O2.C30H43N3O.2C29H40N4O2.C28H38N4O2.C25H32N2O/c1-5-6-9-16-34-26-11-8-7-10-24(26)25-19-23(12-13-27(25)34)29(36)31-20-22-14-17-33(18-15-22)21-28(35)32-30(2,3)4;1-5-6-9-17-33-27-11-8-7-10-25(27)26-21-24(12-13-28(26)33)29(34)31-22-23-14-18-32(19-15-23)20-16-30(2,3)4;1-5-6-15-33-25-10-8-7-9-23(25)24-18-22(11-12-26(24)33)28(35)30-19-21-13-16-32(17-14-21)20-27(34)31-29(2,3)4;1-5-6-9-15-33-25-11-8-7-10-23(25)24-17-22(12-13-26(24)33)28(35)30-18-21-14-16-32(19-21)20-27(34)31-29(2,3)4;1-5-14-32-24-9-7-6-8-22(24)23-17-21(10-11-25(23)32)27(34)29-18-20-12-15-31(16-13-20)19-26(33)30-28(2,3)4;1-2-3-9-16-27-23-13-8-7-12-21(23)22-17-20(14-15-24(22)27)25(28)26-18-19-10-5-4-6-11-19/h7-8,10-13,19,22H,5-6,9,14-18,20-21H2,1-4H3,(H,31,36)(H,32,35);7-8,10-13,21,23H,5-6,9,14-20,22H2,1-4H3,(H,31,34);7-12,18,21H,5-6,13-17,19-20H2,1-4H3,(H,30,35)(H,31,34);7-8,10-13,17,21H,5-6,9,14-16,18-20H2,1-4H3,(H,30,35)(H,31,34);6-11,17,20H,5,12-16,18-19H2,1-4H3,(H,29,34)(H,30,33);7-8,12-15,17,19H,2-6,9-11,16,18H2,1H3,(H,26,28) |
| InChIKey | FSEKJOQZMNLKEN-UHFFFAOYSA-N |
| XLogP | 32.96 |
| TPSA | 336.78 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 49 |
| Heavy Atoms | 202 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2744.90 |
| LogP ≤ 5 | 32.96 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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