C149H317N33O11 — CID 161110339
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-2-(propan-2-ylamino)propanamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide;N-[2-(dimethylamino)ethyl]-N,2-dimethyl-2-(propan-2-ylamino)propanamide;N-[2-(dimethylamino)ethyl]-2-methyl-2-(propan-2-ylamino)propanamide;N-[3-(dimethylamino)propyl]-N,2-dimethyl-2-(propan-2-ylamino)propanamide;N-[3-(dimethylamino)propyl]-N-methyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide;N-[3-(dimethylamino)propyl]-2-methyl-2-(propan-2-ylamino)propanamide;N,2-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)propanamide;2-methyl-1-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propan-1-one;2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(propan-2-ylamino)propanamide;2-methyl-2-(propan-2-ylamino)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one (PubChem CID 161110339) has the molecular formula C149H317N33O11 and a molecular weight of 2747.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-2-(propan-2-ylamino)propanamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide;N-[2-(dimethylamino)ethyl]-N,2-dimethyl-2-(propan-2-ylamino)propanamide;N-[2-(dimethylamino)ethyl]-2-methyl-2-(propan-2-ylamino)propanamide;N-[3-(dimethylamino)propyl]-N,2-dimethyl-2-(propan-2-ylamino)propanamide;N-[3-(dimethylamino)propyl]-N-methyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide;N-[3-(dimethylamino)propyl]-2-methyl-2-(propan-2-ylamino)propanamide;N,2-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)propanamide;2-methyl-1-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propan-1-one;2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(propan-2-ylamino)propanamide;2-methyl-2-(propan-2-ylamino)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one.
| Compound Name | N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-2-(propan-2-ylamino)propanamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide;N-[2-(dimethylamino)ethyl]-N,2-dimethyl-2-(propan-2-ylamino)propanamide;N-[2-(dimethylamino)ethyl]-2-methyl-2-(propan-2-ylamino)propanamide;N-[3-(dimethylamino)propyl]-N,2-dimethyl-2-(propan-2-ylamino)propanamide;N-[3-(dimethylamino)propyl]-N-methyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide;N-[3-(dimethylamino)propyl]-2-methyl-2-(propan-2-ylamino)propanamide;N,2-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)propanamide;2-methyl-1-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propan-1-one;2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(propan-2-ylamino)propanamide;2-methyl-2-(propan-2-ylamino)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one |
|---|---|
| PubChem CID | 161110339 |
| Molecular Formula | C149H317N33O11 |
| Molecular Weight | 2747.39 g/mol |
| Exact Mass | 2745.53 |
| IUPAC Name | N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-2-(propan-2-ylamino)propanamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide;N-[2-(dimethylamino)ethyl]-N,2-dimethyl-2-(propan-2-ylamino)propanamide;N-[2-(dimethylamino)ethyl]-2-methyl-2-(propan-2-ylamino)propanamide;N-[3-(dimethylamino)propyl]-N,2-dimethyl-2-(propan-2-ylamino)propanamide;N-[3-(dimethylamino)propyl]-N-methyl-1-(propan-2-ylamino)cyclopentane-1-carboxamide;N-[3-(dimethylamino)propyl]-2-methyl-2-(propan-2-ylamino)propanamide;N,2-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)propanamide;2-methyl-1-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)propan-1-one;2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(propan-2-ylamino)propanamide;2-methyl-2-(propan-2-ylamino)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one |
| SMILES | CC(C)NC(C)(C)C(=O)N(C)C1CCN(C)CC1.CC(C)NC(C)(C)C(=O)N(C)CCCN(C)C.CC(C)NC(C)(C)C(=O)N(C)CCN(C)C.CC(C)NC(C)(C)C(=O)N1CCC(N2CCCC2)CC1.CC(C)NC(C)(C)C(=O)N1CCN(C)CC1.CC(C)NC(C)(C)C(=O)NCC(C)(C)CN(C)C.CC(C)NC(C)(C)C(=O)NCCC1CCCN1C.CC(C)NC(C)(C)C(=O)NCCCN(C)C.CC(C)NC(C)(C)C(=O)NCCN(C)C.CC(C)NC1(C(=O)N(C)CCCN(C)C)CCCC1.CC(C)NC1(C(=O)NCC(C)(C)CN(C)C)CCCC1 |
| InChI | InChI=1S/C16H31N3O.C16H33N3O.C15H31N3O.2C14H29N3O.C14H31N3O.C13H29N3O.C12H25N3O.2C12H27N3O.C11H25N3O/c1-13(2)17-16(3,4)15(20)19-11-7-14(8-12-19)18-9-5-6-10-18;1-13(2)18-16(9-7-8-10-16)14(20)17-11-15(3,4)12-19(5)6;1-13(2)16-15(9-6-7-10-15)14(19)18(5)12-8-11-17(3)4;1-11(2)15-14(3,4)13(18)17(6)12-7-9-16(5)10-8-12;1-11(2)16-14(3,4)13(18)15-9-8-12-7-6-10-17(12)5;1-11(2)16-14(5,6)12(18)15-9-13(3,4)10-17(7)8;1-11(2)14-13(3,4)12(17)16(7)10-8-9-15(5)6;1-10(2)13-12(3,4)11(16)15-8-6-14(5)7-9-15;1-10(2)13-12(3,4)11(16)15(7)9-8-14(5)6;1-10(2)14-12(3,4)11(16)13-8-7-9-15(5)6;1-9(2)13-11(3,4)10(15)12-7-8-14(5)6/h13-14,17H,5-12H2,1-4H3;13,18H,7-12H2,1-6H3,(H,17,20);13,16H,6-12H2,1-5H3;11-12,15H,7-10H2,1-6H3;11-12,16H,6-10H2,1-5H3,(H,15,18);11,16H,9-10H2,1-8H3,(H,15,18);11,14H,8-10H2,1-7H3;10,13H,6-9H2,1-5H3;10,13H,8-9H2,1-7H3;10,14H,7-9H2,1-6H3,(H,13,16);9,13H,7-8H2,1-6H3,(H,12,15) |
| InChIKey | UJPKXCATIATEOV-UHFFFAOYSA-N |
| XLogP | 13.47 |
| TPSA | 435.33 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 64 |
| Heavy Atoms | 193 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2747.39 |
| LogP ≤ 5 | 13.47 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 33 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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