C142H150F2N16O14 — CID 159791495
tert-butyl N-[[2-[2-(naphthalen-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(piperidine-1-carbonyl)phenyl]phenyl]methyl]carbamate;2-[2-[[(2,4-difluorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;methane;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 159791495) has the molecular formula C142H150F2N16O14 and a molecular weight of 2342.86 g/mol. Its IUPAC name is tert-butyl N-[[2-[2-(naphthalen-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(piperidine-1-carbonyl)phenyl]phenyl]methyl]carbamate;2-[2-[[(2,4-difluorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;methane;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-3-ylmethyl)benzamide.
| Compound Name | tert-butyl N-[[2-[2-(naphthalen-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(piperidine-1-carbonyl)phenyl]phenyl]methyl]carbamate;2-[2-[[(2,4-difluorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;methane;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-3-ylmethyl)benzamide |
|---|---|
| PubChem CID | 159791495 |
| Molecular Formula | C142H150F2N16O14 |
| Molecular Weight | 2342.86 g/mol |
| Exact Mass | 2341.15 |
| IUPAC Name | tert-butyl N-[[2-[2-(naphthalen-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate;tert-butyl N-[[2-[2-(piperidine-1-carbonyl)phenyl]phenyl]methyl]carbamate;2-[2-[[(2,4-difluorophenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;methane;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(2-pyridin-2-ylethyl)benzamide;2-[2-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]-N-(pyridin-3-ylmethyl)benzamide |
| SMILES | C.C.C.CC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1C(=O)N1CCCCC1.CC(C)(C)OC(=O)NCc1ccccc1-c1ccccc1C(=O)NCc1ccc2ccccc2c1.COc1ccc(NC(=O)NCc2ccccc2-c2ccccc2C(=O)NCCc2ccccn2)cc1.COc1ccc(NC(=O)NCc2ccccc2-c2ccccc2C(=O)NCc2cccnc2)cc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccn1)Nc1ccc(F)cc1F |
| InChI | InChI=1S/C30H30N2O3.C29H28N4O3.C28H24F2N4O2.C28H26N4O3.C24H30N2O3.3CH4/c1-30(2,3)35-29(34)32-20-24-12-6-7-13-25(24)26-14-8-9-15-27(26)28(33)31-19-21-16-17-22-10-4-5-11-23(22)18-21;1-36-24-15-13-23(14-16-24)33-29(35)32-20-21-8-2-3-10-25(21)26-11-4-5-12-27(26)28(34)31-19-17-22-9-6-7-18-30-22;29-20-12-13-26(25(30)17-20)34-28(36)33-18-19-7-1-2-9-22(19)23-10-3-4-11-24(23)27(35)32-16-14-21-8-5-6-15-31-21;1-35-23-14-12-22(13-15-23)32-28(34)31-19-21-8-2-3-9-24(21)25-10-4-5-11-26(25)27(33)30-18-20-7-6-16-29-17-20;1-24(2,3)29-23(28)25-17-18-11-5-6-12-19(18)20-13-7-8-14-21(20)22(27)26-15-9-4-10-16-26;;;/h4-18H,19-20H2,1-3H3,(H,31,33)(H,32,34);2-16,18H,17,19-20H2,1H3,(H,31,34)(H2,32,33,35);1-13,15,17H,14,16,18H2,(H,32,35)(H2,33,34,36);2-17H,18-19H2,1H3,(H,30,33)(H2,31,32,34);5-8,11-14H,4,9-10,15-17H2,1-3H3,(H,25,28);3*1H4 |
| InChIKey | NIPPSLAIFRVTOE-UHFFFAOYSA-N |
| XLogP | 28.76 |
| TPSA | 393.89 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 174 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2342.86 |
| LogP ≤ 5 | 28.76 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 17 |