C169H205F3N22O25S — CID 158375031
N-[2-(2,3-dimethoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;N-[(2,3-dimethoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;N-[2-(3-ethoxyphenyl)ethyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide;N-[(4-phenoxyphenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;N-(2-pyridin-2-ylethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide;N-(2-pyridin-3-ylethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide (PubChem CID 158375031) has the molecular formula C169H205F3N22O25S and a molecular weight of 3033.69 g/mol. Its IUPAC name is N-[2-(2,3-dimethoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;N-[(2,3-dimethoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;N-[2-(3-ethoxyphenyl)ethyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide;N-[(4-phenoxyphenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;N-(2-pyridin-2-ylethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide;N-(2-pyridin-3-ylethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide.
| Compound Name | N-[2-(2,3-dimethoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;N-[(2,3-dimethoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;N-[2-(3-ethoxyphenyl)ethyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide;N-[(4-phenoxyphenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;N-(2-pyridin-2-ylethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide;N-(2-pyridin-3-ylethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide |
|---|---|
| PubChem CID | 158375031 |
| Molecular Formula | C169H205F3N22O25S |
| Molecular Weight | 3033.69 g/mol |
| Exact Mass | 3031.51 |
| IUPAC Name | N-[2-(2,3-dimethoxyphenyl)ethyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;N-[(2,3-dimethoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide;N-[2-(3-ethoxyphenyl)ethyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-1-carboxamide;3-[(4-methoxyphenyl)methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide;N-[(4-phenoxyphenyl)methyl]-4-pyridin-4-yloxypiperidine-1-carboxamide;N-(2-pyridin-2-ylethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide;N-(2-pyridin-3-ylethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide |
| SMILES | CCOc1cccc(CCNC(=O)N2CCC(Oc3ccncc3)CC2)c1.COc1ccc(CC2CCN(C(=O)NC(C)c3ccc(S(C)(=O)=O)cc3)C2)cc1.COc1ccc(CC2CCN(C(=O)NCCc3cccc(OC)c3OC)C2)cc1.COc1ccc(CC2CCN(C(=O)NCc3cccc(OC)c3OC)C2)cc1.COc1ccc(CC2CCN(C(=O)NCc3ccccc3OC(F)(F)F)C2)cc1.O=C(NCCc1ccccn1)N1CCC(Oc2ccncc2)CC1.O=C(NCCc1cccnc1)N1CCC(Oc2ccncc2)CC1.O=C(NCc1ccc(Oc2ccccc2)cc1)N1CCC(Oc2ccncc2)CC1 |
| InChI | InChI=1S/C24H25N3O3.C23H30N2O4.C22H28N2O4S.C22H28N2O4.C21H23F3N2O3.C21H27N3O3.2C18H22N4O2/c28-24(27-16-12-23(13-17-27)30-22-10-14-25-15-11-22)26-18-19-6-8-21(9-7-19)29-20-4-2-1-3-5-20;1-27-20-9-7-17(8-10-20)15-18-12-14-25(16-18)23(26)24-13-11-19-5-4-6-21(28-2)22(19)29-3;1-16(19-6-10-21(11-7-19)29(3,26)27)23-22(25)24-13-12-18(15-24)14-17-4-8-20(28-2)9-5-17;1-26-19-9-7-16(8-10-19)13-17-11-12-24(15-17)22(25)23-14-18-5-4-6-20(27-2)21(18)28-3;1-28-18-8-6-15(7-9-18)12-16-10-11-26(14-16)20(27)25-13-17-4-2-3-5-19(17)29-21(22,23)24;1-2-26-20-5-3-4-17(16-20)6-13-23-21(25)24-14-9-19(10-15-24)27-18-7-11-22-12-8-18;23-18(21-11-3-15-2-1-8-20-14-15)22-12-6-17(7-13-22)24-16-4-9-19-10-5-16;23-18(21-12-4-15-3-1-2-9-20-15)22-13-7-17(8-14-22)24-16-5-10-19-11-6-16/h1-11,14-15,23H,12-13,16-18H2,(H,26,28);4-10,18H,11-16H2,1-3H3,(H,24,26);4-11,16,18H,12-15H2,1-3H3,(H,23,25);4-10,17H,11-15H2,1-3H3,(H,23,25);2-9,16H,10-14H2,1H3,(H,25,27);3-5,7-8,11-12,16,19H,2,6,9-10,13-15H2,1H3,(H,23,25);1-2,4-5,8-10,14,17H,3,6-7,11-13H2,(H,21,23);1-3,5-6,9-11,17H,4,7-8,12-14H2,(H,21,23) |
| InChIKey | GVBTUDUGMWUVAJ-UHFFFAOYSA-N |
| XLogP | 27.26 |
| TPSA | 508.65 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 220 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3033.69 |
| LogP ≤ 5 | 27.26 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 31 |