C159H195ClN11O11Pr- — CID 158154610
benzoyl(cyclohexyl)azanide;N-[3-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide;N-[4-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide;N-butyl-N-cyclohexylbenzamide;2-chloro-N-cyclohexyl-N-ethylbenzamide;N-cyclohexyl-N-methylbenzamide;N-cyclohexyl-N-methyl-4-phenylbenzamide;N-cyclohexyl-N-phenylbenzamide;4-methyl-N-phenyl-N-propylbenzamide;praseodymium (PubChem CID 158154610) has the molecular formula C159H195ClN11O11Pr- and a molecular weight of 2612.74 g/mol. Its IUPAC name is benzoyl(cyclohexyl)azanide;N-[3-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide;N-[4-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide;N-butyl-N-cyclohexylbenzamide;2-chloro-N-cyclohexyl-N-ethylbenzamide;N-cyclohexyl-N-methylbenzamide;N-cyclohexyl-N-methyl-4-phenylbenzamide;N-cyclohexyl-N-phenylbenzamide;4-methyl-N-phenyl-N-propylbenzamide;praseodymium.
| Compound Name | benzoyl(cyclohexyl)azanide;N-[3-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide;N-[4-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide;N-butyl-N-cyclohexylbenzamide;2-chloro-N-cyclohexyl-N-ethylbenzamide;N-cyclohexyl-N-methylbenzamide;N-cyclohexyl-N-methyl-4-phenylbenzamide;N-cyclohexyl-N-phenylbenzamide;4-methyl-N-phenyl-N-propylbenzamide;praseodymium |
|---|---|
| PubChem CID | 158154610 |
| Molecular Formula | C159H195ClN11O11Pr- |
| Molecular Weight | 2612.74 g/mol |
| Exact Mass | 2610.38 |
| IUPAC Name | benzoyl(cyclohexyl)azanide;N-[3-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide;N-[4-[benzoyl(methyl)amino]cyclohexyl]-N-methylbenzamide;N-butyl-N-cyclohexylbenzamide;2-chloro-N-cyclohexyl-N-ethylbenzamide;N-cyclohexyl-N-methylbenzamide;N-cyclohexyl-N-methyl-4-phenylbenzamide;N-cyclohexyl-N-phenylbenzamide;4-methyl-N-phenyl-N-propylbenzamide;praseodymium |
| SMILES | CCCCN(C(=O)c1ccccc1)C1CCCCC1.CCCN(C(=O)c1ccc(C)cc1)c1ccccc1.CCN(C(=O)c1ccccc1Cl)C1CCCCC1.CN(C(=O)c1ccc(-c2ccccc2)cc1)C1CCCCC1.CN(C(=O)c1ccccc1)C1CCC(N(C)C(=O)c2ccccc2)CC1.CN(C(=O)c1ccccc1)C1CCCC(N(C)C(=O)c2ccccc2)C1.CN(C(=O)c1ccccc1)C1CCCCC1.O=C([N-]C1CCCCC1)c1ccccc1.O=C(c1ccccc1)N(c1ccccc1)C1CCCCC1.[Pr] |
| InChI | InChI=1S/2C22H26N2O2.C20H23NO.C19H21NO.C17H19NO.C17H25NO.C15H20ClNO.C14H19NO.C13H17NO.Pr/c1-23(21(25)17-10-5-3-6-11-17)19-14-9-15-20(16-19)24(2)22(26)18-12-7-4-8-13-18;1-23(21(25)17-9-5-3-6-10-17)19-13-15-20(16-14-19)24(2)22(26)18-11-7-4-8-12-18;1-21(19-10-6-3-7-11-19)20(22)18-14-12-17(13-15-18)16-8-4-2-5-9-16;21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-13-18(16-7-5-4-6-8-16)17(19)15-11-9-14(2)10-12-15;1-2-3-14-18(16-12-8-5-9-13-16)17(19)15-10-6-4-7-11-15;1-2-17(12-8-4-3-5-9-12)15(18)13-10-6-7-11-14(13)16;1-15(13-10-6-3-7-11-13)14(16)12-8-4-2-5-9-12;15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12;/h3-8,10-13,19-20H,9,14-16H2,1-2H3;3-12,19-20H,13-16H2,1-2H3;2,4-5,8-9,12-15,19H,3,6-7,10-11H2,1H3;1-2,4-7,10-13,18H,3,8-9,14-15H2;4-12H,3,13H2,1-2H3;4,6-7,10-11,16H,2-3,5,8-9,12-14H2,1H3;6-7,10-12H,2-5,8-9H2,1H3;2,4-5,8-9,13H,3,6-7,10-11H2,1H3;1,3-4,7-8,12H,2,5-6,9-10H2,(H,14,15);/p-1 |
| InChIKey | CYYNIBICPAXBCM-UHFFFAOYSA-M |
| XLogP | 36.18 |
| TPSA | 234.27 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 183 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2612.74 |
| LogP ≤ 5 | 36.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |