7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-phenylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-2-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one

C184H285N39O17S3 — CID 157349429

IUPAC7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-phenylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-2-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)(C)N(c2cc[nH]c2)C1=O.CNC1CCCC(C)(C)N(c2ccc[nH]2)C1=O.CNC1CCCC(C)(C)N(c2ccccc2)C1=O.CNC1CCCC(C)(C)N(c2ccccn2)C1=O.CNC1CCCC(C)(C)N(c2cccnc2)C1=O.CNC1CCCC(C)(C)N(c2cccnn2)C1=O.CNC1CCCC(C)(C)N(c2ccco2)C1=O.CNC1CCCC(C)(C)N(c2cccs2)C1=O.CNC1CCCC(C)(C)N(c2ccncc2)C1=O.CNC1CCCC(C)(C)N(c2ccoc2)C1=O.CNC1CCCC(C)(C)N(c2ccsc2)C1=O.CNC1CCCC(C)(C)N(c2cnc[nH]2)C1=O.CNC1CCCC(C)(C)N(c2ncco2)C1=O.CNC1CCCC(C)(C)N(c2nccs2)C1=O
InChIInChI=1S/C15H22N2O.3C14H21N3O.C13H20N4O.2C13H21N3O.2C13H20N2O2.2C13H20N2OS.C12H20N4O.C12H19N3O2.C12H19N3OS/c1-15(2)11-7-10-13(16-3)14(18)17(15)12-8-5-4-6-9-12;1-14(2)8-4-7-12(15-3)13(18)17(14)11-6-5-9-16-10-11;1-14(2)8-4-5-12(15-3)13(18)17(14)11-6-9-16-10-7-11;1-14(2)9-6-7-11(15-3)13(18)17(14)12-8-4-5-10-16-12;1-13(2)8-4-6-10(14-3)12(18)17(13)11-7-5-9-15-16-11;1-13(2)8-4-6-10(14-3)12(17)16(13)11-7-5-9-15-11;1-13(2)7-4-5-11(14-3)12(17)16(13)10-6-8-15-9-10;1-13(2)8-4-6-10(14-3)12(16)15(13)11-7-5-9-17-11;1-13(2)7-4-5-11(14-3)12(16)15(13)10-6-8-17-9-10;1-13(2)8-4-6-10(14-3)12(16)15(13)11-7-5-9-17-11;1-13(2)7-4-5-11(14-3)12(16)15(13)10-6-8-17-9-10;1-12(2)6-4-5-9(13-3)11(17)16(12)10-7-14-8-15-10;2*1-12(2)6-4-5-9(13-3)10(16)15(12)11-14-7-8-17-11/h4-6,8-9,13,16H,7,10-11H2,1-3H3;5-6,9-10,12,15H,4,7-8H2,1-3H3;6-7,9-10,12,15H,4-5,8H2,1-3H3;4-5,8,10-11,15H,6-7,9H2,1-3H3;5,7,9-10,14H,4,6,8H2,1-3H3;5,7,9-10,14-15H,4,6,8H2,1-3H3;6,8-9,11,14-15H,4-5,7H2,1-3H3;5,7,9-10,14H,4,6,8H2,1-3H3;6,8-9,11,14H,4-5,7H2,1-3H3;5,7,9-10,14H,4,6,8H2,1-3H3;6,8-9,11,14H,4-5,7H2,1-3H3;7-9,13H,4-6H2,1-3H3,(H,14,15);2*7-9,13H,4-6H2,1-3H3
InChIKeyBHIWCROFRUHVMB-UHFFFAOYSA-N
MW3411.76 g/mol
LogP28.09
Rot. Bonds28

About 7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-phenylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-2-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one

7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-phenylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-2-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one (PubChem CID 157349429) has the molecular formula C184H285N39O17S3 and a molecular weight of 3411.76 g/mol. Its IUPAC name is 7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-phenylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-2-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-phenylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-2-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one
PubChem CID157349429
Molecular FormulaC184H285N39O17S3
Molecular Weight3411.76 g/mol
Exact Mass3409.18
IUPAC Name7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-phenylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-2-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1CCCC(C)(C)N(c2cc[nH]c2)C1=O.CNC1CCCC(C)(C)N(c2ccc[nH]2)C1=O.CNC1CCCC(C)(C)N(c2ccccc2)C1=O.CNC1CCCC(C)(C)N(c2ccccn2)C1=O.CNC1CCCC(C)(C)N(c2cccnc2)C1=O.CNC1CCCC(C)(C)N(c2cccnn2)C1=O.CNC1CCCC(C)(C)N(c2ccco2)C1=O.CNC1CCCC(C)(C)N(c2cccs2)C1=O.CNC1CCCC(C)(C)N(c2ccncc2)C1=O.CNC1CCCC(C)(C)N(c2ccoc2)C1=O.CNC1CCCC(C)(C)N(c2ccsc2)C1=O.CNC1CCCC(C)(C)N(c2cnc[nH]2)C1=O.CNC1CCCC(C)(C)N(c2ncco2)C1=O.CNC1CCCC(C)(C)N(c2nccs2)C1=O
InChIInChI=1S/C15H22N2O.3C14H21N3O.C13H20N4O.2C13H21N3O.2C13H20N2O2.2C13H20N2OS.C12H20N4O.C12H19N3O2.C12H19N3OS/c1-15(2)11-7-10-13(16-3)14(18)17(15)12-8-5-4-6-9-12;1-14(2)8-4-7-12(15-3)13(18)17(14)11-6-5-9-16-10-11;1-14(2)8-4-5-12(15-3)13(18)17(14)11-6-9-16-10-7-11;1-14(2)9-6-7-11(15-3)13(18)17(14)12-8-4-5-10-16-12;1-13(2)8-4-6-10(14-3)12(18)17(13)11-7-5-9-15-16-11;1-13(2)8-4-6-10(14-3)12(17)16(13)11-7-5-9-15-11;1-13(2)7-4-5-11(14-3)12(17)16(13)10-6-8-15-9-10;1-13(2)8-4-6-10(14-3)12(16)15(13)11-7-5-9-17-11;1-13(2)7-4-5-11(14-3)12(16)15(13)10-6-8-17-9-10;1-13(2)8-4-6-10(14-3)12(16)15(13)11-7-5-9-17-11;1-13(2)7-4-5-11(14-3)12(16)15(13)10-6-8-17-9-10;1-12(2)6-4-5-9(13-3)11(17)16(12)10-7-14-8-15-10;2*1-12(2)6-4-5-9(13-3)10(16)15(12)11-14-7-8-17-11/h4-6,8-9,13,16H,7,10-11H2,1-3H3;5-6,9-10,12,15H,4,7-8H2,1-3H3;6-7,9-10,12,15H,4-5,8H2,1-3H3;4-5,8,10-11,15H,6-7,9H2,1-3H3;5,7,9-10,14H,4,6,8H2,1-3H3;5,7,9-10,14-15H,4,6,8H2,1-3H3;6,8-9,11,14-15H,4-5,7H2,1-3H3;5,7,9-10,14H,4,6,8H2,1-3H3;6,8-9,11,14H,4-5,7H2,1-3H3;5,7,9-10,14H,4,6,8H2,1-3H3;6,8-9,11,14H,4-5,7H2,1-3H3;7-9,13H,4-6H2,1-3H3,(H,14,15);2*7-9,13H,4-6H2,1-3H3
InChIKeyBHIWCROFRUHVMB-UHFFFAOYSA-N
XLogP28.09
TPSA642.67 Ų
H-Bond Donors17
H-Bond Acceptors42
Rotatable Bonds28
Heavy Atoms243
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003411.76
LogP ≤ 528.09
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1042

Analyze 7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-phenylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-2-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one with MolForge

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Related Compounds

2-[3-[2-[6-[3-(furan-2-yl)-5-pyrazin-2-yl-4-pyrimidin-2-yl-2-pyridinyl]-5-phenyl-4-(1H-pyrrol-2-ylsulfanyl)pyridazin-3-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-4-(1,3-thiazol-2-yl)-1,3-oxazole
CID 136499328
1-(furan-3-ylmethyl)-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(1,3,4-oxadiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one
CID 157050832
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-7-methyl-3-(methylamino)azepan-2-one;1-(furan-2-yl)-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-2-one;tris(7-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one);7-methyl-3-(methylamino)-1-phenylazepan-2-one;7-methyl-3-(methylamino)-1-pyrazin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-pyrimidin-4-ylazepan-2-one;7-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
CID 157066236
ethane;furan;1H-imidazole;methane;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;thiadiazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole;2H-triazole
CID 157084765
4-benzyl-6-(methylamino)-1,4-oxazepan-5-one;4-(furan-3-yl)-6-(methylamino)-1,4-oxazepan-5-one;4-(1H-imidazol-5-yl)-6-(methylamino)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridazin-3-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-3-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(pyridin-4-ylmethyl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1H-pyrrol-3-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-(1,3-thiazol-4-yl)-1,4-oxazepan-5-one;6-(methylamino)-4-thiophen-3-yl-1,4-oxazepan-5-one
CID 157092065
1-benzyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)azepan-2-one;3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-1-thiophen-3-ylazepan-2-one
CID 157102267
3-propan-2-ylfuran;5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157105191
bis(5H-cyclopenta[c]pyridazine);icosakis(2,2-dimethylpropane);furo[2,3-c]pyridazine;bis(furo[3,2-c]pyridazine);bis([1,3]oxazolo[4,5-c]pyridazine);bis([1,3]oxazolo[5,4-c]pyridazine);bis(5H-pyrrolo[2,3-c]pyridazine);bis(7H-pyrrolo[2,3-c]pyridazine);bis([1,3]thiazolo[4,5-c]pyridazine);bis([1,3]thiazolo[5,4-c]pyridazine);thieno[2,3-c]pyridazine;bis(thieno[3,2-c]pyridazine)
CID 157118018
CID 157120267
CID 157120267
benzene;cyclopenta-1,3-diene;furan;bis(1H-imidazole);1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;2H-pyran;pyrazine;1H-pyrazole;pyridazine;pyridine;1H-pyridin-2-one;bis(pyrimidine);1H-pyrrole;2H-pyrrole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1H-1,2,4-triazole
CID 157131955
CID 157140927
CID 157140927
CID 157176261
CID 157176261

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-phenylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-2-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one?
The IUPAC name of 7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-phenylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-2-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one (CID 157349429) is 7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-phenylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-2-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-phenylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-2-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-phenylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-2-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one is CNC1CCCC(C)(C)N(c2cc[nH]c2)C1=O.CNC1CCCC(C)(C)N(c2ccc[nH]2)C1=O.CNC1CCCC(C)(C)N(c2ccccc2)C1=O.CNC1CCCC(C)(C)N(c2ccccn2)C1=O.CNC1CCCC(C)(C)N(c2cccnc2)C1=O.CNC1CCCC(C)(C)N(c2cccnn2)C1=O.CNC1CCCC(C)(C)N(c2ccco2)C1=O.CNC1CCCC(C)(C)N(c2cccs2)C1=O.CNC1CCCC(C)(C)N(c2ccncc2)C1=O.CNC1CCCC(C)(C)N(c2ccoc2)C1=O.CNC1CCCC(C)(C)N(c2ccsc2)C1=O.CNC1CCCC(C)(C)N(c2cnc[nH]2)C1=O.CNC1CCCC(C)(C)N(c2ncco2)C1=O.CNC1CCCC(C)(C)N(c2nccs2)C1=O.
What is the InChIKey of 7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-phenylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-2-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one?
The InChIKey is BHIWCROFRUHVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.3C14H21N3O.C13H20N4O.2C13H21N3O.2C13H20N2O2.2C13H20N2OS.C12H20N4O.C12H19N3O2.C12H19N3OS/c1-15(2)11-7-10-13(16-3)14(18)17(15)12-8-5-4-6-9-12;1-14(2)8-4-7-12(15-3)13(18)17(14)11-6-5-9-16-10-11;1-14(2)8-4-5-12(15-3)13(18)17(14)11-6-9-16-10-7-11;1-14(2)9-6-7-11(15-3)13(18)17(14)12-8-4-5-10-16-12;1-13(2)8-4-6-10(14-3)12(18)17(13)11-7-5-9-15-16-11;1-13(2)8-4-6-10(14-3)12(17)16(13)11-7-5-9-15-11;1-13(2)7-4-5-11(14-3)12(17)16(13)10-6-8-15-9-10;1-13(2)8-4-6-10(14-3)12(16)15(13)11-7-5-9-17-11;1-13(2)7-4-5-11(14-3)12(16)15(13)10-6-8-17-9-10;1-13(2)8-4-6-10(14-3)12(16)15(13)11-7-5-9-17-11;1-13(2)7-4-5-11(14-3)12(16)15(13)10-6-8-17-9-10;1-12(2)6-4-5-9(13-3)11(17)16(12)10-7-14-8-15-10;2*1-12(2)6-4-5-9(13-3)10(16)15(12)11-14-7-8-17-11/h4-6,8-9,13,16H,7,10-11H2,1-3H3;5-6,9-10,12,15H,4,7-8H2,1-3H3;6-7,9-10,12,15H,4-5,8H2,1-3H3;4-5,8,10-11,15H,6-7,9H2,1-3H3;5,7,9-10,14H,4,6,8H2,1-3H3;5,7,9-10,14-15H,4,6,8H2,1-3H3;6,8-9,11,14-15H,4-5,7H2,1-3H3;5,7,9-10,14H,4,6,8H2,1-3H3;6,8-9,11,14H,4-5,7H2,1-3H3;5,7,9-10,14H,4,6,8H2,1-3H3;6,8-9,11,14H,4-5,7H2,1-3H3;7-9,13H,4-6H2,1-3H3,(H,14,15);2*7-9,13H,4-6H2,1-3H3.
What are the key properties of 7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-phenylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-2-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one?
7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-phenylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-2-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one has a molecular weight of 3411.76 g/mol, XLogP of 28.09, 28 rotatable bonds, 17 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-phenylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1H-pyrrol-3-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one;7,7-dimethyl-3-(methylamino)-1-thiophen-3-ylazepan-2-one;1-(furan-2-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(furan-3-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-5-yl)-7,7-dimethyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 157349429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).