C143H247ClN18O20 — CID 162198089
benzyl (3R)-3-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;N-[(4-chlorophenyl)methyl]-2-methylpropanamide;N-(cyclohexylmethyl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide;N-(cyclopentylmethyl)-2-methylpropanamide;N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpropanamide;N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropanamide;3-methylbutan-2-one;2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide;2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;bis(2-methyl-N-propylpropanamide);2-methyl-N-(pyrazin-2-ylmethyl)propanamide (PubChem CID 162198089) has the molecular formula C143H247ClN18O20 and a molecular weight of 2574.11 g/mol. Its IUPAC name is benzyl (3R)-3-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;N-[(4-chlorophenyl)methyl]-2-methylpropanamide;N-(cyclohexylmethyl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide;N-(cyclopentylmethyl)-2-methylpropanamide;N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpropanamide;N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropanamide;3-methylbutan-2-one;2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide;2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;bis(2-methyl-N-propylpropanamide);2-methyl-N-(pyrazin-2-ylmethyl)propanamide.
| Compound Name | benzyl (3R)-3-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;N-[(4-chlorophenyl)methyl]-2-methylpropanamide;N-(cyclohexylmethyl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide;N-(cyclopentylmethyl)-2-methylpropanamide;N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpropanamide;N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropanamide;3-methylbutan-2-one;2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide;2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;bis(2-methyl-N-propylpropanamide);2-methyl-N-(pyrazin-2-ylmethyl)propanamide |
|---|---|
| PubChem CID | 162198089 |
| Molecular Formula | C143H247ClN18O20 |
| Molecular Weight | 2574.11 g/mol |
| Exact Mass | 2571.86 |
| IUPAC Name | benzyl (3R)-3-[(2-methylpropanoylamino)methyl]pyrrolidine-1-carboxylate;N-[(4-chlorophenyl)methyl]-2-methylpropanamide;N-(cyclohexylmethyl)-2-methylpropanamide;N-cyclohexyl-2-methylpropanamide;N-(cyclopentylmethyl)-2-methylpropanamide;N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpropanamide;N-[1-(6-methoxynaphthalen-2-yl)ethyl]-2-methylpropanamide;3-methylbutan-2-one;2-methyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide;2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide;bis(2-methyl-N-propylpropanamide);2-methyl-N-(pyrazin-2-ylmethyl)propanamide |
| SMILES | CC(=O)C(C)C.CC(C)C(=O)NC(C)(C)CO.CC(C)C(=O)NC1CCCCC1.CC(C)C(=O)NCC1CCCC1.CC(C)C(=O)NCC1CCCCC1.CC(C)C(=O)NCCCN1CCCC1=O.CC(C)C(=O)NCCN1CCCCC1.CC(C)C(=O)NC[C@@H]1CCCO1.CC(C)C(=O)NC[C@H]1CCN(C(=O)OCc2ccccc2)C1.CC(C)C(=O)NCc1ccc(Cl)cc1.CC(C)C(=O)NCc1cnccn1.CCCNC(=O)C(C)C.CCCNC(=O)C(C)C.COc1ccc2cc(C(C)NC(=O)C(C)C)ccc2c1 |
| InChI | InChI=1S/C17H24N2O3.C17H21NO2.C11H14ClNO.C11H20N2O2.C11H22N2O.C11H21NO.2C10H19NO.C9H13N3O.C9H17NO2.C8H17NO2.2C7H15NO.C5H10O/c1-13(2)16(20)18-10-15-8-9-19(11-15)17(21)22-12-14-6-4-3-5-7-14;1-11(2)17(19)18-12(3)13-5-6-15-10-16(20-4)8-7-14(15)9-13;1-8(2)11(14)13-7-9-3-5-10(12)6-4-9;1-9(2)11(15)12-6-4-8-13-7-3-5-10(13)14;1-10(2)11(14)12-6-9-13-7-4-3-5-8-13;1-9(2)11(13)12-8-10-6-4-3-5-7-10;1-8(2)10(12)11-7-9-5-3-4-6-9;1-8(2)10(12)11-9-6-4-3-5-7-9;1-7(2)9(13)12-6-8-5-10-3-4-11-8;1-7(2)9(11)10-6-8-4-3-5-12-8;1-6(2)7(11)9-8(3,4)5-10;2*1-4-5-8-7(9)6(2)3;1-4(2)5(3)6/h3-7,13,15H,8-12H2,1-2H3,(H,18,20);5-12H,1-4H3,(H,18,19);3-6,8H,7H2,1-2H3,(H,13,14);9H,3-8H2,1-2H3,(H,12,15);10H,3-9H2,1-2H3,(H,12,14);9-10H,3-8H2,1-2H3,(H,12,13);2*8-9H,3-7H2,1-2H3,(H,11,12);3-5,7H,6H2,1-2H3,(H,12,13);7-8H,3-6H2,1-2H3,(H,10,11);6,10H,5H2,1-4H3,(H,9,11);2*6H,4-5H2,1-3H3,(H,8,9);4H,1-3H3/t15-;;;;;;;;;8-;;;;/m1........0..../s1 |
| InChIKey | ZRFIOAYJLIHJIY-LJVITBNRSA-N |
| XLogP | 22.89 |
| TPSA | 512.93 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 182 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2574.11 |
| LogP ≤ 5 | 22.89 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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