C233H334N14O14 — CID 159806099
N-[4-[(4-benzamido-3-methylphenyl)methyl]-2-methylphenyl]benzamide;N-[4-[[4-(cyclohexanecarbonylamino)-3-methylphenyl]methyl]-2-methylphenyl]cyclohexanecarboxamide;N-[4-[[3,5-diethyl-4-(2-methylpropanoylamino)phenyl]methyl]-2,6-diethylphenyl]-2-methylpropanamide;N-[4-[[3,5-di(propan-2-yl)-4-(tetradecanoylamino)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]tetradecanamide;3-methyl-N-[2-methyl-4-[[3-methyl-4-(3-methylbutanoylamino)phenyl]methyl]phenyl]butanamide;N-[2-methyl-4-[[3-methyl-4-(pentanoylamino)phenyl]methyl]phenyl]pentanamide;N-[2-methyl-4-[[3-methyl-4-(tetradecanoylamino)phenyl]methyl]phenyl]tetradecanamide (PubChem CID 159806099) has the molecular formula C233H334N14O14 and a molecular weight of 3555.32 g/mol. Its IUPAC name is N-[4-[(4-benzamido-3-methylphenyl)methyl]-2-methylphenyl]benzamide;N-[4-[[4-(cyclohexanecarbonylamino)-3-methylphenyl]methyl]-2-methylphenyl]cyclohexanecarboxamide;N-[4-[[3,5-diethyl-4-(2-methylpropanoylamino)phenyl]methyl]-2,6-diethylphenyl]-2-methylpropanamide;N-[4-[[3,5-di(propan-2-yl)-4-(tetradecanoylamino)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]tetradecanamide;3-methyl-N-[2-methyl-4-[[3-methyl-4-(3-methylbutanoylamino)phenyl]methyl]phenyl]butanamide;N-[2-methyl-4-[[3-methyl-4-(pentanoylamino)phenyl]methyl]phenyl]pentanamide;N-[2-methyl-4-[[3-methyl-4-(tetradecanoylamino)phenyl]methyl]phenyl]tetradecanamide.
| Compound Name | N-[4-[(4-benzamido-3-methylphenyl)methyl]-2-methylphenyl]benzamide;N-[4-[[4-(cyclohexanecarbonylamino)-3-methylphenyl]methyl]-2-methylphenyl]cyclohexanecarboxamide;N-[4-[[3,5-diethyl-4-(2-methylpropanoylamino)phenyl]methyl]-2,6-diethylphenyl]-2-methylpropanamide;N-[4-[[3,5-di(propan-2-yl)-4-(tetradecanoylamino)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]tetradecanamide;3-methyl-N-[2-methyl-4-[[3-methyl-4-(3-methylbutanoylamino)phenyl]methyl]phenyl]butanamide;N-[2-methyl-4-[[3-methyl-4-(pentanoylamino)phenyl]methyl]phenyl]pentanamide;N-[2-methyl-4-[[3-methyl-4-(tetradecanoylamino)phenyl]methyl]phenyl]tetradecanamide |
|---|---|
| PubChem CID | 159806099 |
| Molecular Formula | C233H334N14O14 |
| Molecular Weight | 3555.32 g/mol |
| Exact Mass | 3552.59 |
| IUPAC Name | N-[4-[(4-benzamido-3-methylphenyl)methyl]-2-methylphenyl]benzamide;N-[4-[[4-(cyclohexanecarbonylamino)-3-methylphenyl]methyl]-2-methylphenyl]cyclohexanecarboxamide;N-[4-[[3,5-diethyl-4-(2-methylpropanoylamino)phenyl]methyl]-2,6-diethylphenyl]-2-methylpropanamide;N-[4-[[3,5-di(propan-2-yl)-4-(tetradecanoylamino)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]tetradecanamide;3-methyl-N-[2-methyl-4-[[3-methyl-4-(3-methylbutanoylamino)phenyl]methyl]phenyl]butanamide;N-[2-methyl-4-[[3-methyl-4-(pentanoylamino)phenyl]methyl]phenyl]pentanamide;N-[2-methyl-4-[[3-methyl-4-(tetradecanoylamino)phenyl]methyl]phenyl]tetradecanamide |
| SMILES | CCCCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCCC)c(C)c2)cc1C.CCCCCCCCCCCCCC(=O)Nc1c(C(C)C)cc(Cc2cc(C(C)C)c(NC(=O)CCCCCCCCCCCCC)c(C(C)C)c2)cc1C(C)C.CCCCCCCCCCCCCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCCCCCCCCCCCC)c(C)c2)cc1C.CCc1cc(Cc2cc(CC)c(NC(=O)C(C)C)c(CC)c2)cc(CC)c1NC(=O)C(C)C.Cc1cc(Cc2ccc(NC(=O)C3CCCCC3)c(C)c2)ccc1NC(=O)C1CCCCC1.Cc1cc(Cc2ccc(NC(=O)CC(C)C)c(C)c2)ccc1NC(=O)CC(C)C.Cc1cc(Cc2ccc(NC(=O)c3ccccc3)c(C)c2)ccc1NC(=O)c1ccccc1 |
| InChI | InChI=1S/C53H90N2O2.C43H70N2O2.C29H38N2O2.C29H26N2O2.C29H42N2O2.2C25H34N2O2/c1-11-13-15-17-19-21-23-25-27-29-31-33-50(56)54-52-46(40(3)4)36-44(37-47(52)41(5)6)35-45-38-48(42(7)8)53(49(39-45)43(9)10)55-51(57)34-32-30-28-26-24-22-20-18-16-14-12-2;1-5-7-9-11-13-15-17-19-21-23-25-27-42(46)44-40-31-29-38(33-36(40)3)35-39-30-32-41(37(4)34-39)45-43(47)28-26-24-22-20-18-16-14-12-10-8-6-2;2*1-20-17-22(13-15-26(20)30-28(32)24-9-5-3-6-10-24)19-23-14-16-27(21(2)18-23)31-29(33)25-11-7-4-8-12-25;1-9-22-14-20(15-23(10-2)26(22)30-28(32)18(5)6)13-21-16-24(11-3)27(25(12-4)17-21)31-29(33)19(7)8;1-16(2)11-24(28)26-22-9-7-20(13-18(22)5)15-21-8-10-23(19(6)14-21)27-25(29)12-17(3)4;1-5-7-9-24(28)26-22-13-11-20(15-18(22)3)17-21-12-14-23(19(4)16-21)27-25(29)10-8-6-2/h36-43H,11-35H2,1-10H3,(H,54,56)(H,55,57);29-34H,5-28,35H2,1-4H3,(H,44,46)(H,45,47);13-18,24-25H,3-12,19H2,1-2H3,(H,30,32)(H,31,33);3-18H,19H2,1-2H3,(H,30,32)(H,31,33);14-19H,9-13H2,1-8H3,(H,30,32)(H,31,33);7-10,13-14,16-17H,11-12,15H2,1-6H3,(H,26,28)(H,27,29);11-16H,5-10,17H2,1-4H3,(H,26,28)(H,27,29) |
| InChIKey | NKKJPWVFZNQWPO-UHFFFAOYSA-N |
| XLogP | 62.29 |
| TPSA | 407.40 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 100 |
| Heavy Atoms | 261 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3555.32 |
| LogP ≤ 5 | 62.29 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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