C174H244N18O23 — CID 91006471
(Z)-N-ethyloctadec-9-enamide;9H-fluoren-9-ylmethyl 2-[[6-[2-(decanoylamino)ethyl-[2-[2-[6-[[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]amino]hexanoyl-[2-[2-[6-[[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]amino]hexanoyl-[2-[2-[6-[[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]amino]hexanoyl-[2-[2-[6-[[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]amino]hexanoyl-[2-(methylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]acetate;N-methyldodecanamide (PubChem CID 91006471) has the molecular formula C174H244N18O23 and a molecular weight of 2955.97 g/mol. Its IUPAC name is (Z)-N-ethyloctadec-9-enamide;9H-fluoren-9-ylmethyl 2-[[6-[2-(decanoylamino)ethyl-[2-[2-[6-[[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]amino]hexanoyl-[2-[2-[6-[[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]amino]hexanoyl-[2-[2-[6-[[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]amino]hexanoyl-[2-[2-[6-[[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]amino]hexanoyl-[2-(methylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]acetate;N-methyldodecanamide.
| Compound Name | (Z)-N-ethyloctadec-9-enamide;9H-fluoren-9-ylmethyl 2-[[6-[2-(decanoylamino)ethyl-[2-[2-[6-[[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]amino]hexanoyl-[2-[2-[6-[[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]amino]hexanoyl-[2-[2-[6-[[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]amino]hexanoyl-[2-[2-[6-[[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]amino]hexanoyl-[2-(methylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]acetate;N-methyldodecanamide |
|---|---|
| PubChem CID | 91006471 |
| Molecular Formula | C174H244N18O23 |
| Molecular Weight | 2955.97 g/mol |
| Exact Mass | 2953.85 |
| IUPAC Name | (Z)-N-ethyloctadec-9-enamide;9H-fluoren-9-ylmethyl 2-[[6-[2-(decanoylamino)ethyl-[2-[2-[6-[[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]amino]hexanoyl-[2-[2-[6-[[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]amino]hexanoyl-[2-[2-[6-[[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]amino]hexanoyl-[2-[2-[6-[[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]amino]hexanoyl-[2-(methylamino)-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]ethylamino]-2-oxoethyl]amino]-6-oxohexyl]amino]acetate;N-methyldodecanamide |
| SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)NCC.CCCCCCCCCC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NC)C(=O)CCCCCNCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CCCCCNCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CCCCCNCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CCCCCNCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CCCCCNCC(=O)OCC1c2ccccc2-c2ccccc21.CCCCCCCCCCCC(=O)NC |
| InChI | InChI=1S/C141H178N16O21.C20H39NO.C13H27NO/c1-3-4-5-6-7-8-14-65-126(158)148-76-81-154(133(165)67-16-10-41-72-144-87-138(170)175-97-122-113-57-32-22-47-103(113)104-48-23-33-58-114(104)122)92-128(160)150-78-83-156(135(167)69-18-12-43-74-146-89-140(172)177-99-124-117-61-36-26-51-107(117)108-52-27-37-62-118(108)124)94-130(162)152-80-85-157(136(168)70-19-13-44-75-147-90-141(173)178-100-125-119-63-38-28-53-109(119)110-54-29-39-64-120(110)125)95-131(163)151-79-84-155(134(166)68-17-11-42-73-145-88-139(171)176-98-123-115-59-34-24-49-105(115)106-50-25-35-60-116(106)123)93-129(161)149-77-82-153(91-127(159)142-2)132(164)66-15-9-40-71-143-86-137(169)174-96-121-111-55-30-20-45-101(111)102-46-21-31-56-112(102)121;1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21-4-2;1-3-4-5-6-7-8-9-10-11-12-13(15)14-2/h20-39,45-64,121-125,143-147H,3-19,40-44,65-100H2,1-2H3,(H,142,159)(H,148,158)(H,149,161)(H,150,160)(H,151,163)(H,152,162);11-12H,3-10,13-19H2,1-2H3,(H,21,22);3-12H2,1-2H3,(H,14,15)/b;12-11-; |
| InChIKey | FIHYZVLSBNMYPJ-SWPBDETKSA-N |
| XLogP | 24.94 |
| TPSA | 526.00 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 109 |
| Heavy Atoms | 215 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2955.97 |
| LogP ≤ 5 | 24.94 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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