C153H148N12O15 — CID 123600471
N-benzyl-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide;2-[2-[[3-(4-ethoxyphenyl)propanoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;bis(2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-phenylethyl)benzamide);2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 123600471) has the molecular formula C153H148N12O15 and a molecular weight of 2394.94 g/mol. Its IUPAC name is N-benzyl-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide;2-[2-[[3-(4-ethoxyphenyl)propanoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;bis(2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-phenylethyl)benzamide);2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide.
| Compound Name | N-benzyl-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide;2-[2-[[3-(4-ethoxyphenyl)propanoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;bis(2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-phenylethyl)benzamide);2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide |
|---|---|
| PubChem CID | 123600471 |
| Molecular Formula | C153H148N12O15 |
| Molecular Weight | 2394.94 g/mol |
| Exact Mass | 2393.12 |
| IUPAC Name | N-benzyl-2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide;2-[2-[[3-(4-ethoxyphenyl)propanoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;bis(2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-phenylethyl)benzamide);2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)benzamide |
| SMILES | CCOc1ccc(CCC(=O)NCc2ccccc2-c2ccccc2C(=O)NCCc2ccccn2)cc1.COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCCc2ccccc2)cc1.COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCCc2ccccc2)cc1.COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCc2ccccc2)cc1.COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2C(=O)NCc2ccccn2)cc1 |
| InChI | InChI=1S/C32H33N3O3.2C31H30N2O3.C30H28N2O3.C29H27N3O3/c1-2-38-27-17-14-24(15-18-27)16-19-31(36)35-23-25-9-3-4-11-28(25)29-12-5-6-13-30(29)32(37)34-22-20-26-10-7-8-21-33-26;2*1-36-26-17-15-24(16-18-26)21-30(34)33-22-25-11-5-6-12-27(25)28-13-7-8-14-29(28)31(35)32-20-19-23-9-3-2-4-10-23;1-35-25-17-15-22(16-18-25)19-29(33)31-21-24-11-5-6-12-26(24)27-13-7-8-14-28(27)30(34)32-20-23-9-3-2-4-10-23;1-35-24-15-13-21(14-16-24)18-28(33)31-19-22-8-2-3-10-25(22)26-11-4-5-12-27(26)29(34)32-20-23-9-6-7-17-30-23/h3-15,17-18,21H,2,16,19-20,22-23H2,1H3,(H,34,37)(H,35,36);2*2-18H,19-22H2,1H3,(H,32,35)(H,33,34);2-18H,19-21H2,1H3,(H,31,33)(H,32,34);2-17H,18-20H2,1H3,(H,31,33)(H,32,34) |
| InChIKey | DDCFNQLHMXSIIK-UHFFFAOYSA-N |
| XLogP | 25.45 |
| TPSA | 362.93 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 180 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2394.94 |
| LogP ≤ 5 | 25.45 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 17 |