1-benzyl-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-pyridazin-3-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-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-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-(1,3-thiazol-4-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

C213H331N45O19S4 — CID 157184171

IUPAC1-benzyl-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-pyridazin-3-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-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-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-(1,3-thiazol-4-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(Cc2ccccc2)C1=O.CNC1CCCC(C)(C)N(Cc2ccccn2)C1=O.CNC1CCCC(C)(C)N(Cc2cccnc2)C1=O.CNC1CCCC(C)(C)N(c2cc[nH]c2)C1=O.CNC1CCCC(C)(C)N(c2ccc[nH]2)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(c2cscn2)C1=O.CNC1CCCC(C)(C)N(c2ncco2)C1=O.CNC1CCCC(C)(C)N(c2nccs2)C1=O
InChIInChI=1S/C16H24N2O.2C15H23N3O.2C14H21N3O.C13H20N4O.2C13H21N3O.2C13H20N2O2.2C13H20N2OS.C12H20N4O.C12H19N3O2.2C12H19N3OS/c1-16(2)11-7-10-14(17-3)15(19)18(16)12-13-8-5-4-6-9-13;1-15(2)8-4-7-13(16-3)14(19)18(15)11-12-6-5-9-17-10-12;1-15(2)9-6-8-13(16-3)14(19)18(15)11-12-7-4-5-10-17-12;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;1-13(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;1-12(2)6-4-5-9(13-3)10(16)15(12)11-14-7-8-17-11;1-12(2)6-4-5-9(13-3)11(16)15(12)10-7-17-8-14-10;1-12(2)6-4-5-9(13-3)10(16)15(12)11-14-7-8-17-11/h4-6,8-9,14,17H,7,10-12H2,1-3H3;5-6,9-10,13,16H,4,7-8,11H2,1-3H3;4-5,7,10,13,16H,6,8-9,11H2,1-3H3;5-6,9-10,12,15H,4,7-8H2,1-3H3;6-7,9-10,12,15H,4-5,8H2,1-3H3;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);3*7-9,13H,4-6H2,1-3H3
InChIKeyAOXMOMWEZVLNIT-UHFFFAOYSA-N
MW3954.55 g/mol
LogP32.07
Rot. Bonds35

About 1-benzyl-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-pyridazin-3-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-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-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-(1,3-thiazol-4-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

1-benzyl-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-pyridazin-3-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-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-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-(1,3-thiazol-4-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 157184171) has the molecular formula C213H331N45O19S4 and a molecular weight of 3954.55 g/mol. Its IUPAC name is 1-benzyl-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-pyridazin-3-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-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-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-(1,3-thiazol-4-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 Name1-benzyl-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-pyridazin-3-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-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-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-(1,3-thiazol-4-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 CID157184171
Molecular FormulaC213H331N45O19S4
Molecular Weight3954.55 g/mol
Exact Mass3951.52
IUPAC Name1-benzyl-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-pyridazin-3-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-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-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-(1,3-thiazol-4-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(Cc2ccccc2)C1=O.CNC1CCCC(C)(C)N(Cc2ccccn2)C1=O.CNC1CCCC(C)(C)N(Cc2cccnc2)C1=O.CNC1CCCC(C)(C)N(c2cc[nH]c2)C1=O.CNC1CCCC(C)(C)N(c2ccc[nH]2)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(c2cscn2)C1=O.CNC1CCCC(C)(C)N(c2ncco2)C1=O.CNC1CCCC(C)(C)N(c2nccs2)C1=O
InChIInChI=1S/C16H24N2O.2C15H23N3O.2C14H21N3O.C13H20N4O.2C13H21N3O.2C13H20N2O2.2C13H20N2OS.C12H20N4O.C12H19N3O2.2C12H19N3OS/c1-16(2)11-7-10-14(17-3)15(19)18(16)12-13-8-5-4-6-9-13;1-15(2)8-4-7-13(16-3)14(19)18(15)11-12-6-5-9-17-10-12;1-15(2)9-6-8-13(16-3)14(19)18(15)11-12-7-4-5-10-17-12;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;1-13(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;1-12(2)6-4-5-9(13-3)10(16)15(12)11-14-7-8-17-11;1-12(2)6-4-5-9(13-3)11(16)15(12)10-7-17-8-14-10;1-12(2)6-4-5-9(13-3)10(16)15(12)11-14-7-8-17-11/h4-6,8-9,14,17H,7,10-12H2,1-3H3;5-6,9-10,13,16H,4,7-8,11H2,1-3H3;4-5,7,10,13,16H,6,8-9,11H2,1-3H3;5-6,9-10,12,15H,4,7-8H2,1-3H3;6-7,9-10,12,15H,4-5,8H2,1-3H3;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);3*7-9,13H,4-6H2,1-3H3
InChIKeyAOXMOMWEZVLNIT-UHFFFAOYSA-N
XLogP32.07
TPSA733.13 Ų
H-Bond Donors19
H-Bond Acceptors49
Rotatable Bonds35
Heavy Atoms281
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003954.55
LogP ≤ 532.07
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1049

Analyze 1-benzyl-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-pyridazin-3-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-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-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-(1,3-thiazol-4-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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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-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-pyridazin-3-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-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-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-(1,3-thiazol-4-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 1-benzyl-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-pyridazin-3-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-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-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-(1,3-thiazol-4-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 157184171) is 1-benzyl-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-pyridazin-3-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-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-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-(1,3-thiazol-4-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 1-benzyl-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-pyridazin-3-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-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-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-(1,3-thiazol-4-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 1-benzyl-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-pyridazin-3-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-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-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-(1,3-thiazol-4-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(Cc2ccccc2)C1=O.CNC1CCCC(C)(C)N(Cc2ccccn2)C1=O.CNC1CCCC(C)(C)N(Cc2cccnc2)C1=O.CNC1CCCC(C)(C)N(c2cc[nH]c2)C1=O.CNC1CCCC(C)(C)N(c2ccc[nH]2)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(c2cscn2)C1=O.CNC1CCCC(C)(C)N(c2ncco2)C1=O.CNC1CCCC(C)(C)N(c2nccs2)C1=O.
What is the InChIKey of 1-benzyl-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-pyridazin-3-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-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-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-(1,3-thiazol-4-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 AOXMOMWEZVLNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.2C15H23N3O.2C14H21N3O.C13H20N4O.2C13H21N3O.2C13H20N2O2.2C13H20N2OS.C12H20N4O.C12H19N3O2.2C12H19N3OS/c1-16(2)11-7-10-14(17-3)15(19)18(16)12-13-8-5-4-6-9-13;1-15(2)8-4-7-13(16-3)14(19)18(15)11-12-6-5-9-17-10-12;1-15(2)9-6-8-13(16-3)14(19)18(15)11-12-7-4-5-10-17-12;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;1-13(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;1-12(2)6-4-5-9(13-3)10(16)15(12)11-14-7-8-17-11;1-12(2)6-4-5-9(13-3)11(16)15(12)10-7-17-8-14-10;1-12(2)6-4-5-9(13-3)10(16)15(12)11-14-7-8-17-11/h4-6,8-9,14,17H,7,10-12H2,1-3H3;5-6,9-10,13,16H,4,7-8,11H2,1-3H3;4-5,7,10,13,16H,6,8-9,11H2,1-3H3;5-6,9-10,12,15H,4,7-8H2,1-3H3;6-7,9-10,12,15H,4-5,8H2,1-3H3;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);3*7-9,13H,4-6H2,1-3H3.
What are the key properties of 1-benzyl-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-pyridazin-3-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-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-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-(1,3-thiazol-4-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?
1-benzyl-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-pyridazin-3-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-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-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-(1,3-thiazol-4-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 3954.55 g/mol, XLogP of 32.07, 35 rotatable bonds, 19 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-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-pyridazin-3-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-(pyridin-2-ylmethyl)azepan-2-one;7,7-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-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-(1,3-thiazol-4-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 157184171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).