C209H217F2N17O25 — CID 158323161
benzyl N-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(4,4-difluoropentylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[[4-(dimethylamino)phenyl]methylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(propan-2-ylamino)prop-2-enylcarbamoyl]phenyl]phenyl]methyl]carbamate;methane;methyl 4-methyl-2-[[2-[2-(phenylmethoxycarbonylaminomethyl)phenyl]benzoyl]amino]pentanoate;methyl 2-[[2-[2-(phenylmethoxycarbonylaminomethyl)phenyl]benzoyl]amino]-3-pyridin-2-ylpropanoate (PubChem CID 158323161) has the molecular formula C209H217F2N17O25 and a molecular weight of 3405.12 g/mol. Its IUPAC name is benzyl N-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(4,4-difluoropentylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[[4-(dimethylamino)phenyl]methylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(propan-2-ylamino)prop-2-enylcarbamoyl]phenyl]phenyl]methyl]carbamate;methane;methyl 4-methyl-2-[[2-[2-(phenylmethoxycarbonylaminomethyl)phenyl]benzoyl]amino]pentanoate;methyl 2-[[2-[2-(phenylmethoxycarbonylaminomethyl)phenyl]benzoyl]amino]-3-pyridin-2-ylpropanoate.
| Compound Name | benzyl N-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(4,4-difluoropentylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[[4-(dimethylamino)phenyl]methylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(propan-2-ylamino)prop-2-enylcarbamoyl]phenyl]phenyl]methyl]carbamate;methane;methyl 4-methyl-2-[[2-[2-(phenylmethoxycarbonylaminomethyl)phenyl]benzoyl]amino]pentanoate;methyl 2-[[2-[2-(phenylmethoxycarbonylaminomethyl)phenyl]benzoyl]amino]-3-pyridin-2-ylpropanoate |
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| PubChem CID | 158323161 |
| Molecular Formula | C209H217F2N17O25 |
| Molecular Weight | 3405.12 g/mol |
| Exact Mass | 3402.62 |
| IUPAC Name | benzyl N-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(4,4-difluoropentylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[[4-(dimethylamino)phenyl]methylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(propan-2-ylamino)prop-2-enylcarbamoyl]phenyl]phenyl]methyl]carbamate;methane;methyl 4-methyl-2-[[2-[2-(phenylmethoxycarbonylaminomethyl)phenyl]benzoyl]amino]pentanoate;methyl 2-[[2-[2-(phenylmethoxycarbonylaminomethyl)phenyl]benzoyl]amino]-3-pyridin-2-ylpropanoate |
| SMILES | C.C.C=C(CNC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1)NC(C)C.CC(F)(F)CCCNC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.CCN(Cc1ccccc1)C(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.CN(C)c1ccc(CNC(=O)c2ccccc2-c2ccccc2CNC(=O)OCc2ccccc2)cc1.COC(=O)C(CC(C)C)NC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.COC(=O)C(Cc1ccccn1)NC(=O)c1ccccc1-c1ccccc1CNC(=O)OCc1ccccc1.O=C(NCc1ccccc1-c1ccccc1C(=O)NCCc1ccccc1)OCc1ccccc1 |
| InChI | InChI=1S/C31H29N3O5.C31H31N3O3.C31H30N2O3.C30H28N2O3.C29H32N2O5.C28H31N3O3.C27H28F2N2O3.2CH4/c1-38-30(36)28(19-24-14-9-10-18-32-24)34-29(35)27-17-8-7-16-26(27)25-15-6-5-13-23(25)20-33-31(37)39-21-22-11-3-2-4-12-22;1-34(2)26-18-16-23(17-19-26)20-32-30(35)29-15-9-8-14-28(29)27-13-7-6-12-25(27)21-33-31(36)37-22-24-10-4-3-5-11-24;1-2-33(22-24-13-5-3-6-14-24)30(34)29-20-12-11-19-28(29)27-18-10-9-17-26(27)21-32-31(35)36-23-25-15-7-4-8-16-25;33-29(31-20-19-23-11-3-1-4-12-23)28-18-10-9-17-27(28)26-16-8-7-15-25(26)21-32-30(34)35-22-24-13-5-2-6-14-24;1-20(2)17-26(28(33)35-3)31-27(32)25-16-10-9-15-24(25)23-14-8-7-13-22(23)18-30-29(34)36-19-21-11-5-4-6-12-21;1-20(2)31-21(3)17-29-27(32)26-16-10-9-15-25(26)24-14-8-7-13-23(24)18-30-28(33)34-19-22-11-5-4-6-12-22;1-27(28,29)16-9-17-30-25(32)24-15-8-7-14-23(24)22-13-6-5-12-21(22)18-31-26(33)34-19-20-10-3-2-4-11-20;;/h2-18,28H,19-21H2,1H3,(H,33,37)(H,34,35);3-19H,20-22H2,1-2H3,(H,32,35)(H,33,36);3-20H,2,21-23H2,1H3,(H,32,35);1-18H,19-22H2,(H,31,33)(H,32,34);4-16,20,26H,17-19H2,1-3H3,(H,30,34)(H,31,32);4-16,20,31H,3,17-19H2,1-2H3,(H,29,32)(H,30,33);2-8,10-15H,9,16-19H2,1H3,(H,30,32)(H,31,33);2*1H4 |
| InChIKey | GPCBPBDHJKXCDX-UHFFFAOYSA-N |
| XLogP | 40.00 |
| TPSA | 543.98 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 67 |
| Heavy Atoms | 253 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3405.12 |
| LogP ≤ 5 | 40.00 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 28 |
| Structural Alerts | {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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