C152H216N16O20 — CID 160601489
N-(3-acetamido-2-tert-butylphenyl)acetamide;N-(3-benzamido-2-tert-butylphenyl)benzamide;(1S)-N-[2-tert-butyl-3-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-tert-butyl-3-(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide;(2S)-N-[2-tert-butyl-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;N-[2-tert-butyl-3-(2-methylpropanoylamino)phenyl]-2-methylpropanamide;(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;N-[2-tert-butyl-3-(propanoylamino)phenyl]propanamide (PubChem CID 160601489) has the molecular formula C152H216N16O20 and a molecular weight of 2587.49 g/mol. Its IUPAC name is N-(3-acetamido-2-tert-butylphenyl)acetamide;N-(3-benzamido-2-tert-butylphenyl)benzamide;(1S)-N-[2-tert-butyl-3-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-tert-butyl-3-(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide;(2S)-N-[2-tert-butyl-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;N-[2-tert-butyl-3-(2-methylpropanoylamino)phenyl]-2-methylpropanamide;(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;N-[2-tert-butyl-3-(propanoylamino)phenyl]propanamide.
| Compound Name | N-(3-acetamido-2-tert-butylphenyl)acetamide;N-(3-benzamido-2-tert-butylphenyl)benzamide;(1S)-N-[2-tert-butyl-3-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-tert-butyl-3-(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide;(2S)-N-[2-tert-butyl-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;N-[2-tert-butyl-3-(2-methylpropanoylamino)phenyl]-2-methylpropanamide;(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;N-[2-tert-butyl-3-(propanoylamino)phenyl]propanamide |
|---|---|
| PubChem CID | 160601489 |
| Molecular Formula | C152H216N16O20 |
| Molecular Weight | 2587.49 g/mol |
| Exact Mass | 2585.64 |
| IUPAC Name | N-(3-acetamido-2-tert-butylphenyl)acetamide;N-(3-benzamido-2-tert-butylphenyl)benzamide;(1S)-N-[2-tert-butyl-3-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]phenyl]-2,2-dimethylcyclopropane-1-carboxamide;N-[2-tert-butyl-3-(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide;(2S)-N-[2-tert-butyl-3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-2-methoxypropanamide;N-[2-tert-butyl-3-(2-methylpropanoylamino)phenyl]-2-methylpropanamide;(2S)-N-[2-tert-butyl-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide;N-[2-tert-butyl-3-(propanoylamino)phenyl]propanamide |
| SMILES | CC(=O)Nc1cccc(NC(C)=O)c1C(C)(C)C.CC(C)(C)C(=O)Nc1cccc(NC(=O)C(C)(C)C)c1C(C)(C)C.CC(C)(C)c1c(NC(=O)[C@@H]2CCCO2)cccc1NC(=O)[C@@H]1CCCO1.CC(C)(C)c1c(NC(=O)[C@H]2CC2(C)C)cccc1NC(=O)[C@H]1CC1(C)C.CC(C)(C)c1c(NC(=O)c2ccccc2)cccc1NC(=O)c1ccccc1.CC(C)C(=O)Nc1cccc(NC(=O)C(C)C)c1C(C)(C)C.CCC(=O)Nc1cccc(NC(=O)CC)c1C(C)(C)C.CO[C@@H](C)C(=O)Nc1cccc(NC(=O)[C@H](C)OC)c1C(C)(C)C |
| InChI | InChI=1S/C24H24N2O2.C22H32N2O2.C20H28N2O4.C20H32N2O2.C18H28N2O4.C18H28N2O2.C16H24N2O2.C14H20N2O2/c1-24(2,3)21-19(25-22(27)17-11-6-4-7-12-17)15-10-16-20(21)26-23(28)18-13-8-5-9-14-18;1-20(2,3)17-15(23-18(25)13-11-21(13,4)5)9-8-10-16(17)24-19(26)14-12-22(14,6)7;1-20(2,3)17-13(21-18(23)15-9-5-11-25-15)7-4-8-14(17)22-19(24)16-10-6-12-26-16;1-18(2,3)15-13(21-16(23)19(4,5)6)11-10-12-14(15)22-17(24)20(7,8)9;1-11(23-6)16(21)19-13-9-8-10-14(15(13)18(3,4)5)20-17(22)12(2)24-7;1-11(2)16(21)19-13-9-8-10-14(15(13)18(5,6)7)20-17(22)12(3)4;1-6-13(19)17-11-9-8-10-12(18-14(20)7-2)15(11)16(3,4)5;1-9(17)15-11-7-6-8-12(16-10(2)18)13(11)14(3,4)5/h4-16H,1-3H3,(H,25,27)(H,26,28);8-10,13-14H,11-12H2,1-7H3,(H,23,25)(H,24,26);4,7-8,15-16H,5-6,9-12H2,1-3H3,(H,21,23)(H,22,24);10-12H,1-9H3,(H,21,23)(H,22,24);8-12H,1-7H3,(H,19,21)(H,20,22);8-12H,1-7H3,(H,19,21)(H,20,22);8-10H,6-7H2,1-5H3,(H,17,19)(H,18,20);6-8H,1-5H3,(H,15,17)(H,16,18)/t;13-,14-;15-,16-;;11-,12-;;;/m.10.0.../s1 |
| InChIKey | REIJNWQZUIWZGZ-AGYCWKRXSA-N |
| XLogP | 32.30 |
| TPSA | 502.52 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 188 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2587.49 |
| LogP ≤ 5 | 32.30 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 20 |