C148H138N18O12 — CID 157293632
2-cyclohexyl-N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]acetamide;N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]acetamide;N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]-2-methylbutanamide;N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]-2-naphthalen-2-ylacetamide;N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]-4-phenylbutanamide;N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]-3-phenylpropanamide (PubChem CID 157293632) has the molecular formula C148H138N18O12 and a molecular weight of 2360.85 g/mol. Its IUPAC name is 2-cyclohexyl-N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]acetamide;N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]acetamide;N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]-2-methylbutanamide;N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]-2-naphthalen-2-ylacetamide;N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]-4-phenylbutanamide;N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]-3-phenylpropanamide.
| Compound Name | 2-cyclohexyl-N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]acetamide;N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]acetamide;N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]-2-methylbutanamide;N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]-2-naphthalen-2-ylacetamide;N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]-4-phenylbutanamide;N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]-3-phenylpropanamide |
|---|---|
| PubChem CID | 157293632 |
| Molecular Formula | C148H138N18O12 |
| Molecular Weight | 2360.85 g/mol |
| Exact Mass | 2359.07 |
| IUPAC Name | 2-cyclohexyl-N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]acetamide;N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]acetamide;N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]-2-methylbutanamide;N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]-2-naphthalen-2-ylacetamide;N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]-4-phenylbutanamide;N-[3-[hydroxy(phenyl)methyl]-5-phenylpyrazin-2-yl]-3-phenylpropanamide |
| SMILES | CC(=O)Nc1ncc(-c2ccccc2)nc1C(O)c1ccccc1.CCC(C)C(=O)Nc1ncc(-c2ccccc2)nc1C(O)c1ccccc1.O=C(CC1CCCCC1)Nc1ncc(-c2ccccc2)nc1C(O)c1ccccc1.O=C(CCCc1ccccc1)Nc1ncc(-c2ccccc2)nc1C(O)c1ccccc1.O=C(CCc1ccccc1)Nc1ncc(-c2ccccc2)nc1C(O)c1ccccc1.O=C(Cc1ccc2ccccc2c1)Nc1ncc(-c2ccccc2)nc1C(O)c1ccccc1 |
| InChI | InChI=1S/C29H23N3O2.C27H25N3O2.C26H23N3O2.C25H27N3O2.C22H23N3O2.C19H17N3O2/c33-26(18-20-15-16-21-9-7-8-14-24(21)17-20)32-29-27(28(34)23-12-5-2-6-13-23)31-25(19-30-29)22-10-3-1-4-11-22;31-24(18-10-13-20-11-4-1-5-12-20)30-27-25(26(32)22-16-8-3-9-17-22)29-23(19-28-27)21-14-6-2-7-15-21;30-23(17-16-19-10-4-1-5-11-19)29-26-24(25(31)21-14-8-3-9-15-21)28-22(18-27-26)20-12-6-2-7-13-20;29-22(16-18-10-4-1-5-11-18)28-25-23(24(30)20-14-8-3-9-15-20)27-21(17-26-25)19-12-6-2-7-13-19;1-3-15(2)22(27)25-21-19(20(26)17-12-8-5-9-13-17)24-18(14-23-21)16-10-6-4-7-11-16;1-13(23)21-19-17(18(24)15-10-6-3-7-11-15)22-16(12-20-19)14-8-4-2-5-9-14/h1-17,19,28,34H,18H2,(H,30,32,33);1-9,11-12,14-17,19,26,32H,10,13,18H2,(H,28,30,31);1-15,18,25,31H,16-17H2,(H,27,29,30);2-3,6-9,12-15,17-18,24,30H,1,4-5,10-11,16H2,(H,26,28,29);4-15,20,26H,3H2,1-2H3,(H,23,25,27);2-12,18,24H,1H3,(H,20,21,23) |
| InChIKey | BBBXDUFHWFPVRX-UHFFFAOYSA-N |
| XLogP | 28.07 |
| TPSA | 450.66 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 178 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2360.85 |
| LogP ≤ 5 | 28.07 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 24 |