C172H212N20O22S — CID 158902748
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;N-[2-(2,3-dimethoxyphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[2-(3-ethoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide;N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide (PubChem CID 158902748) has the molecular formula C172H212N20O22S and a molecular weight of 2943.77 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;N-[2-(2,3-dimethoxyphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[2-(3-ethoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide;N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide.
| Compound Name | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;N-[2-(2,3-dimethoxyphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[2-(3-ethoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide;N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide |
|---|---|
| PubChem CID | 158902748 |
| Molecular Formula | C172H212N20O22S |
| Molecular Weight | 2943.77 g/mol |
| Exact Mass | 2941.58 |
| IUPAC Name | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;N-[2-(2,3-dimethoxyphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-[2-(3-ethoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-(2-phenylethyl)pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)pyrrolidine-1-carboxamide;N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide |
| SMILES | CC(NC(=O)N1CCC(c2cccnc2)C1)c1ccc(S(C)(=O)=O)cc1.CCOc1cccc(CCNC(=O)N2CCC(Cc3ccc(OC)cc3)C2)c1.COc1ccc(CC2CCN(C(=O)NCCc3ccc(OC)c(OC)c3)C2)cc1.COc1ccc(CC2CCN(C(=O)NCCc3ccccc3)C2)cc1.COc1ccc(CC2CCN(C(=O)NCCc3ccccn3)C2)cc1.COc1ccc(CC2CCN(C(=O)NCCc3cccnc3)C2)cc1.COc1ccc(CC2CCN(C(=O)NCc3ccc(Oc4ccccc4)cc3)C2)cc1.COc1cccc(CCNC(=O)N2CCC(c3cccnc3)C2)c1OC |
| InChI | InChI=1S/C26H28N2O3.C23H30N2O4.C23H30N2O3.C21H26N2O2.C20H25N3O3.2C20H25N3O2.C19H23N3O3S/c1-30-23-11-7-20(8-12-23)17-22-15-16-28(19-22)26(29)27-18-21-9-13-25(14-10-21)31-24-5-3-2-4-6-24;1-27-20-7-4-17(5-8-20)14-19-11-13-25(16-19)23(26)24-12-10-18-6-9-21(28-2)22(15-18)29-3;1-3-28-22-6-4-5-18(16-22)11-13-24-23(26)25-14-12-20(17-25)15-19-7-9-21(27-2)10-8-19;1-25-20-9-7-18(8-10-20)15-19-12-14-23(16-19)21(24)22-13-11-17-5-3-2-4-6-17;1-25-18-7-3-5-15(19(18)26-2)8-11-22-20(24)23-12-9-17(14-23)16-6-4-10-21-13-16;1-25-19-6-4-16(5-7-19)13-18-9-12-23(15-18)20(24)22-11-8-17-3-2-10-21-14-17;1-25-19-7-5-16(6-8-19)14-17-10-13-23(15-17)20(24)22-12-9-18-4-2-3-11-21-18;1-14(15-5-7-18(8-6-15)26(2,24)25)21-19(23)22-11-9-17(13-22)16-4-3-10-20-12-16/h2-14,22H,15-19H2,1H3,(H,27,29);4-9,15,19H,10-14,16H2,1-3H3,(H,24,26);4-10,16,20H,3,11-15,17H2,1-2H3,(H,24,26);2-10,19H,11-16H2,1H3,(H,22,24);3-7,10,13,17H,8-9,11-12,14H2,1-2H3,(H,22,24);2-7,10,14,18H,8-9,11-13,15H2,1H3,(H,22,24);2-8,11,17H,9-10,12-15H2,1H3,(H,22,24);3-8,10,12,14,17H,9,11,13H2,1-2H3,(H,21,23) |
| InChIKey | JFQPAMUYBUYHAD-UHFFFAOYSA-N |
| XLogP | 27.61 |
| TPSA | 455.18 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 51 |
| Heavy Atoms | 215 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2943.77 |
| LogP ≤ 5 | 27.61 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 26 |