C169H322F3N27O24 — CID 158605722
3-acetamido-N-tert-butyl-N-ethylpropanamide;1-acetyl-N-tert-butyl-N-methylpiperidine-4-carboxamide;1-acetyl-N-tert-butylpiperidine-3-carboxamide;1-acetyl-N-tert-butylpyrrolidine-2-carboxamide;N-tert-butyl-N-cyclopropylacetamide;3-tert-butyl-1,1-di(propan-2-yl)urea;N-tert-butyl-N-ethyl-2-methoxypropanamide;N-tert-butyl-N-ethyl-3-methylimidazole-4-carboxamide;N-tert-butyl-N-ethylpyridine-3-carboxamide;N-tert-butyl-N-ethyl-4,4,4-trifluorobutanamide;N-tert-butyl-N-methylacetamide;N'-tert-butyl-N-methylbutanediamide;N-tert-butyl-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;N-tert-butyl-1-methylpyrazole-4-carboxamide;1-tert-butylpyrrolidine-2,5-dione;methane;(2-methylpropan-2-yl)oxycyclohexane (PubChem CID 158605722) has the molecular formula C169H322F3N27O24 and a molecular weight of 3173.59 g/mol. Its IUPAC name is 3-acetamido-N-tert-butyl-N-ethylpropanamide;1-acetyl-N-tert-butyl-N-methylpiperidine-4-carboxamide;1-acetyl-N-tert-butylpiperidine-3-carboxamide;1-acetyl-N-tert-butylpyrrolidine-2-carboxamide;N-tert-butyl-N-cyclopropylacetamide;3-tert-butyl-1,1-di(propan-2-yl)urea;N-tert-butyl-N-ethyl-2-methoxypropanamide;N-tert-butyl-N-ethyl-3-methylimidazole-4-carboxamide;N-tert-butyl-N-ethylpyridine-3-carboxamide;N-tert-butyl-N-ethyl-4,4,4-trifluorobutanamide;N-tert-butyl-N-methylacetamide;N'-tert-butyl-N-methylbutanediamide;N-tert-butyl-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;N-tert-butyl-1-methylpyrazole-4-carboxamide;1-tert-butylpyrrolidine-2,5-dione;methane;(2-methylpropan-2-yl)oxycyclohexane.
| Compound Name | 3-acetamido-N-tert-butyl-N-ethylpropanamide;1-acetyl-N-tert-butyl-N-methylpiperidine-4-carboxamide;1-acetyl-N-tert-butylpiperidine-3-carboxamide;1-acetyl-N-tert-butylpyrrolidine-2-carboxamide;N-tert-butyl-N-cyclopropylacetamide;3-tert-butyl-1,1-di(propan-2-yl)urea;N-tert-butyl-N-ethyl-2-methoxypropanamide;N-tert-butyl-N-ethyl-3-methylimidazole-4-carboxamide;N-tert-butyl-N-ethylpyridine-3-carboxamide;N-tert-butyl-N-ethyl-4,4,4-trifluorobutanamide;N-tert-butyl-N-methylacetamide;N'-tert-butyl-N-methylbutanediamide;N-tert-butyl-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;N-tert-butyl-1-methylpyrazole-4-carboxamide;1-tert-butylpyrrolidine-2,5-dione;methane;(2-methylpropan-2-yl)oxycyclohexane |
|---|---|
| PubChem CID | 158605722 |
| Molecular Formula | C169H322F3N27O24 |
| Molecular Weight | 3173.59 g/mol |
| Exact Mass | 3171.48 |
| IUPAC Name | 3-acetamido-N-tert-butyl-N-ethylpropanamide;1-acetyl-N-tert-butyl-N-methylpiperidine-4-carboxamide;1-acetyl-N-tert-butylpiperidine-3-carboxamide;1-acetyl-N-tert-butylpyrrolidine-2-carboxamide;N-tert-butyl-N-cyclopropylacetamide;3-tert-butyl-1,1-di(propan-2-yl)urea;N-tert-butyl-N-ethyl-2-methoxypropanamide;N-tert-butyl-N-ethyl-3-methylimidazole-4-carboxamide;N-tert-butyl-N-ethylpyridine-3-carboxamide;N-tert-butyl-N-ethyl-4,4,4-trifluorobutanamide;N-tert-butyl-N-methylacetamide;N'-tert-butyl-N-methylbutanediamide;N-tert-butyl-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;N-tert-butyl-1-methylpyrazole-4-carboxamide;1-tert-butylpyrrolidine-2,5-dione;methane;(2-methylpropan-2-yl)oxycyclohexane |
| SMILES | C.C.C.CC(=O)N(C)C(C)(C)C.CC(=O)N(C1CC1)C(C)(C)C.CC(=O)N1CCC(C(=O)N(C)C(C)(C)C)CC1.CC(=O)N1CCCC(C(=O)NC(C)(C)C)C1.CC(=O)N1CCCC1C(=O)NC(C)(C)C.CC(C)(C)N1C(=O)CCC1=O.CC(C)(C)OC1CCCCC1.CC(C)C(C(=O)NC(C)(C)C)N1CCCC1=O.CC(C)N(C(=O)NC(C)(C)C)C(C)C.CCN(C(=O)C(C)OC)C(C)(C)C.CCN(C(=O)CCC(F)(F)F)C(C)(C)C.CCN(C(=O)CCNC(C)=O)C(C)(C)C.CCN(C(=O)c1cccnc1)C(C)(C)C.CCN(C(=O)c1cncn1C)C(C)(C)C.CNC(=O)CCC(=O)NC(C)(C)C.Cn1cc(C(=O)NC(C)(C)C)cn1 |
| InChI | InChI=1S/2C13H24N2O2.C12H22N2O2.C12H18N2O.C11H19N3O.C11H20N2O2.C11H22N2O2.C11H24N2O.C10H18F3NO.C10H21NO2.C10H20O.C9H15N3O.C9H18N2O2.C9H17NO.C8H13NO2.C7H15NO.3CH4/c1-10(16)15-8-6-11(7-9-15)12(17)14(5)13(2,3)4;1-9(2)11(12(17)14-13(3,4)5)15-8-6-7-10(15)16;1-9(15)14-7-5-6-10(8-14)11(16)13-12(2,3)4;1-5-14(12(2,3)4)11(15)10-7-6-8-13-9-10;1-6-14(11(2,3)4)10(15)9-7-12-8-13(9)5;1-8(14)13-7-5-6-9(13)10(15)12-11(2,3)4;1-6-13(11(3,4)5)10(15)7-8-12-9(2)14;1-8(2)13(9(3)4)10(14)12-11(5,6)7;1-5-14(9(2,3)4)8(15)6-7-10(11,12)13;1-7-11(10(3,4)5)9(12)8(2)13-6;1-10(2,3)11-9-7-5-4-6-8-9;1-9(2,3)11-8(13)7-5-10-12(4)6-7;1-9(2,3)11-8(13)6-5-7(12)10-4;1-7(11)10(8-5-6-8)9(2,3)4;1-8(2,3)9-6(10)4-5-7(9)11;1-6(9)8(5)7(2,3)4;;;/h11H,6-9H2,1-5H3;9,11H,6-8H2,1-5H3,(H,14,17);10H,5-8H2,1-4H3,(H,13,16);6-9H,5H2,1-4H3;7-8H,6H2,1-5H3;9H,5-7H2,1-4H3,(H,12,15);6-8H2,1-5H3,(H,12,14);8-9H,1-7H3,(H,12,14);5-7H2,1-4H3;8H,7H2,1-6H3;9H,4-8H2,1-3H3;5-6H,1-4H3,(H,11,13);5-6H2,1-4H3,(H,10,12)(H,11,13);8H,5-6H2,1-4H3;4-5H2,1-3H3;1-5H3;3*1H4 |
| InChIKey | HWESDPUKEWYUJI-UHFFFAOYSA-N |
| XLogP | 27.97 |
| TPSA | 584.13 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 223 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3173.59 |
| LogP ≤ 5 | 27.97 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 29 |
| Structural Alerts | {'alert_name': 'phthalimide', 'substructure': 'N/A'} |
|---|