C214H378N32O16 — CID 157273264
1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)azepan-2-one (PubChem CID 157273264) has the molecular formula C214H378N32O16 and a molecular weight of 3655.59 g/mol. Its IUPAC name is 1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)azepan-2-one.
| Compound Name | 1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)azepan-2-one |
|---|---|
| PubChem CID | 157273264 |
| Molecular Formula | C214H378N32O16 |
| Molecular Weight | 3655.59 g/mol |
| Exact Mass | 3652.97 |
| IUPAC Name | 1-(3-bicyclo[4.1.0]heptanyl)-7-methyl-3-(methylamino)azepan-2-one;1-(2-bicyclo[3.1.0]hexanylmethyl)-7-methyl-3-(methylamino)azepan-2-one;1-cyclobut-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclobutyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohept-4-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cycloheptyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohex-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclohexyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-2-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopent-3-en-1-yl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopentyl-7-methyl-3-(methylamino)azepan-2-one;1-cyclopropyl-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)azepan-2-one |
| SMILES | CNC1CCCC(C)N(C2C=CC2)C1=O.CNC1CCCC(C)N(C2C=CCC2)C1=O.CNC1CCCC(C)N(C2C=CCCC2)C1=O.CNC1CCCC(C)N(C2C=CCCCC2)C1=O.CNC1CCCC(C)N(C2CC2)C1=O.CNC1CCCC(C)N(C2CC=CC2)C1=O.CNC1CCCC(C)N(C2CC=CCC2)C1=O.CNC1CCCC(C)N(C2CC=CCCC2)C1=O.CNC1CCCC(C)N(C2CCC2)C1=O.CNC1CCCC(C)N(C2CCC3CC3C2)C1=O.CNC1CCCC(C)N(C2CCC=CCC2)C1=O.CNC1CCCC(C)N(C2CCCC2)C1=O.CNC1CCCC(C)N(C2CCCCC2)C1=O.CNC1CCCC(C)N(C2CCCCCC2)C1=O.CNC1CCCC(C)N(CC2CCC3CC32)C1=O.CNC1CCCC(C)NC1=O |
| InChI | InChI=1S/2C15H26N2O.C15H28N2O.3C15H26N2O.C14H26N2O.2C14H24N2O.C13H24N2O.2C13H22N2O.C12H22N2O.C12H20N2O.C11H20N2O.C8H16N2O/c1-10-4-3-5-14(16-2)15(18)17(10)13-7-6-11-8-12(11)9-13;1-10-4-3-5-14(16-2)15(18)17(10)9-12-7-6-11-8-13(11)12;4*1-12-8-7-11-14(16-2)15(18)17(12)13-9-5-3-4-6-10-13;3*1-11-7-6-10-13(15-2)14(17)16(11)12-8-4-3-5-9-12;3*1-10-6-5-9-12(14-2)13(16)15(10)11-7-3-4-8-11;2*1-9-5-3-8-11(13-2)12(15)14(9)10-6-4-7-10;1-8-4-3-5-10(12-2)11(14)13(8)9-6-7-9;1-6-4-3-5-7(9-2)8(11)10-6/h2*10-14,16H,3-9H2,1-2H3;12-14,16H,3-11H2,1-2H3;5,9,12-14,16H,3-4,6-8,10-11H2,1-2H3;3,5,12-14,16H,4,6-11H2,1-2H3;3-4,12-14,16H,5-11H2,1-2H3;11-13,15H,3-10H2,1-2H3;4,8,11-13,15H,3,5-7,9-10H2,1-2H3;3-4,11-13,15H,5-10H2,1-2H3;10-12,14H,3-9H2,1-2H3;3,7,10-12,14H,4-6,8-9H2,1-2H3;3-4,10-12,14H,5-9H2,1-2H3;9-11,13H,3-8H2,1-2H3;4,6,9-11,13H,3,5,7-8H2,1-2H3;8-10,12H,3-7H2,1-2H3;6-7,9H,3-5H2,1-2H3,(H,10,11) |
| InChIKey | AYUCEXHXYTYDLG-UHFFFAOYSA-N |
| XLogP | 30.32 |
| TPSA | 526.23 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 262 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3655.59 |
| LogP ≤ 5 | 30.32 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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