4,4-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one

C191H304N46O18S3 — CID 158697371

IUPAC4,4-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1C(=O)N(Cc2cccnc2)CCCC1(C)C.CNC1C(=O)N(Cc2cccnn2)CCCC1(C)C.CNC1C(=O)N(Cc2ccncc2)CCCC1(C)C.CNC1C(=O)N(Cc2ccncn2)CCCC1(C)C.CNC1C(=O)N(Cc2ccno2)CCCC1(C)C.CNC1C(=O)N(Cc2ccoc2)CCCC1(C)C.CNC1C(=O)N(Cc2ccsc2)CCCC1(C)C.CNC1C(=O)N(Cc2cnccn2)CCCC1(C)C.CNC1C(=O)N(Cc2cnco2)CCCC1(C)C.CNC1C(=O)N(Cc2cncs2)CCCC1(C)C.CNC1C(=O)N(Cc2ncc[nH]2)CCCC1(C)C.CNC1C(=O)N(Cc2ncco2)CCCC1(C)C.CNC1C(=O)N(Cc2nccs2)CCCC1(C)C.CNC1C(=O)N(Cc2ncncn2)CCCC1(C)C
InChIInChI=1S/2C15H23N3O.3C14H22N4O.C14H22N2O2.C14H22N2OS.C13H21N5O.C13H22N4O.3C13H21N3O2.2C13H21N3OS/c1-15(2)7-4-10-18(14(19)13(15)16-3)11-12-5-8-17-9-6-12;1-15(2)7-5-9-18(14(19)13(15)16-3)11-12-6-4-8-17-10-12;1-14(2)6-4-8-18(13(19)12(14)15-3)9-11-5-7-16-10-17-11;1-14(2)7-5-9-18(13(19)12(14)15-3)10-11-6-4-8-16-17-11;1-14(2)5-4-8-18(13(19)12(14)15-3)10-11-9-16-6-7-17-11;2*1-14(2)6-4-7-16(13(17)12(14)15-3)9-11-5-8-18-10-11;1-13(2)5-4-6-18(12(19)11(13)14-3)7-10-16-8-15-9-17-10;1-13(2)5-4-8-17(12(18)11(13)14-3)9-10-15-6-7-16-10;1-13(2)6-4-8-16(12(17)11(13)14-3)9-10-5-7-15-18-10;1-13(2)5-4-7-16(12(17)11(13)14-3)9-10-15-6-8-18-10;1-13(2)5-4-6-16(12(17)11(13)14-3)8-10-7-15-9-18-10;1-13(2)5-4-7-16(12(17)11(13)14-3)9-10-15-6-8-18-10;1-13(2)5-4-6-16(12(17)11(13)14-3)8-10-7-15-9-18-10/h5-6,8-9,13,16H,4,7,10-11H2,1-3H3;4,6,8,10,13,16H,5,7,9,11H2,1-3H3;5,7,10,12,15H,4,6,8-9H2,1-3H3;4,6,8,12,15H,5,7,9-10H2,1-3H3;6-7,9,12,15H,4-5,8,10H2,1-3H3;2*5,8,10,12,15H,4,6-7,9H2,1-3H3;8-9,11,14H,4-7H2,1-3H3;6-7,11,14H,4-5,8-9H2,1-3H3,(H,15,16);5,7,11,14H,4,6,8-9H2,1-3H3;6,8,11,14H,4-5,7,9H2,1-3H3;7,9,11,14H,4-6,8H2,1-3H3;6,8,11,14H,4-5,7,9H2,1-3H3;7,9,11,14H,4-6,8H2,1-3H3
InChIKeyIHCRHOJIEGSGPW-UHFFFAOYSA-N
MW3629.04 g/mol
LogP21.52
Rot. Bonds42

About 4,4-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one

4,4-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one (PubChem CID 158697371) has the molecular formula C191H304N46O18S3 and a molecular weight of 3629.04 g/mol. Its IUPAC name is 4,4-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one.

Molecular Properties

Compound Name4,4-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one
PubChem CID158697371
Molecular FormulaC191H304N46O18S3
Molecular Weight3629.04 g/mol
Exact Mass3626.34
IUPAC Name4,4-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one
SMILESCNC1C(=O)N(Cc2cccnc2)CCCC1(C)C.CNC1C(=O)N(Cc2cccnn2)CCCC1(C)C.CNC1C(=O)N(Cc2ccncc2)CCCC1(C)C.CNC1C(=O)N(Cc2ccncn2)CCCC1(C)C.CNC1C(=O)N(Cc2ccno2)CCCC1(C)C.CNC1C(=O)N(Cc2ccoc2)CCCC1(C)C.CNC1C(=O)N(Cc2ccsc2)CCCC1(C)C.CNC1C(=O)N(Cc2cnccn2)CCCC1(C)C.CNC1C(=O)N(Cc2cnco2)CCCC1(C)C.CNC1C(=O)N(Cc2cncs2)CCCC1(C)C.CNC1C(=O)N(Cc2ncc[nH]2)CCCC1(C)C.CNC1C(=O)N(Cc2ncco2)CCCC1(C)C.CNC1C(=O)N(Cc2nccs2)CCCC1(C)C.CNC1C(=O)N(Cc2ncncn2)CCCC1(C)C
InChIInChI=1S/2C15H23N3O.3C14H22N4O.C14H22N2O2.C14H22N2OS.C13H21N5O.C13H22N4O.3C13H21N3O2.2C13H21N3OS/c1-15(2)7-4-10-18(14(19)13(15)16-3)11-12-5-8-17-9-6-12;1-15(2)7-5-9-18(14(19)13(15)16-3)11-12-6-4-8-17-10-12;1-14(2)6-4-8-18(13(19)12(14)15-3)9-11-5-7-16-10-17-11;1-14(2)7-5-9-18(13(19)12(14)15-3)10-11-6-4-8-16-17-11;1-14(2)5-4-8-18(13(19)12(14)15-3)10-11-9-16-6-7-17-11;2*1-14(2)6-4-7-16(13(17)12(14)15-3)9-11-5-8-18-10-11;1-13(2)5-4-6-18(12(19)11(13)14-3)7-10-16-8-15-9-17-10;1-13(2)5-4-8-17(12(18)11(13)14-3)9-10-15-6-7-16-10;1-13(2)6-4-8-16(12(17)11(13)14-3)9-10-5-7-15-18-10;1-13(2)5-4-7-16(12(17)11(13)14-3)9-10-15-6-8-18-10;1-13(2)5-4-6-16(12(17)11(13)14-3)8-10-7-15-9-18-10;1-13(2)5-4-7-16(12(17)11(13)14-3)9-10-15-6-8-18-10;1-13(2)5-4-6-16(12(17)11(13)14-3)8-10-7-15-9-18-10/h5-6,8-9,13,16H,4,7,10-11H2,1-3H3;4,6,8,10,13,16H,5,7,9,11H2,1-3H3;5,7,10,12,15H,4,6,8-9H2,1-3H3;4,6,8,12,15H,5,7,9-10H2,1-3H3;6-7,9,12,15H,4-5,8,10H2,1-3H3;2*5,8,10,12,15H,4,6-7,9H2,1-3H3;8-9,11,14H,4-7H2,1-3H3;6-7,11,14H,4-5,8-9H2,1-3H3,(H,15,16);5,7,11,14H,4,6,8-9H2,1-3H3;6,8,11,14H,4-5,7,9H2,1-3H3;7,9,11,14H,4-6,8H2,1-3H3;6,8,11,14H,4-5,7,9H2,1-3H3;7,9,11,14H,4-6,8H2,1-3H3
InChIKeyIHCRHOJIEGSGPW-UHFFFAOYSA-N
XLogP21.52
TPSA740.24 Ų
H-Bond Donors15
H-Bond Acceptors52
Rotatable Bonds42
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003629.04
LogP ≤ 521.52
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1052

Analyze 4,4-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one?
The IUPAC name of 4,4-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one (CID 158697371) is 4,4-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one.
What is the SMILES notation for 4,4-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one?
The canonical SMILES for 4,4-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one is CNC1C(=O)N(Cc2cccnc2)CCCC1(C)C.CNC1C(=O)N(Cc2cccnn2)CCCC1(C)C.CNC1C(=O)N(Cc2ccncc2)CCCC1(C)C.CNC1C(=O)N(Cc2ccncn2)CCCC1(C)C.CNC1C(=O)N(Cc2ccno2)CCCC1(C)C.CNC1C(=O)N(Cc2ccoc2)CCCC1(C)C.CNC1C(=O)N(Cc2ccsc2)CCCC1(C)C.CNC1C(=O)N(Cc2cnccn2)CCCC1(C)C.CNC1C(=O)N(Cc2cnco2)CCCC1(C)C.CNC1C(=O)N(Cc2cncs2)CCCC1(C)C.CNC1C(=O)N(Cc2ncc[nH]2)CCCC1(C)C.CNC1C(=O)N(Cc2ncco2)CCCC1(C)C.CNC1C(=O)N(Cc2nccs2)CCCC1(C)C.CNC1C(=O)N(Cc2ncncn2)CCCC1(C)C.
What is the InChIKey of 4,4-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one?
The InChIKey is IHCRHOJIEGSGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H23N3O.3C14H22N4O.C14H22N2O2.C14H22N2OS.C13H21N5O.C13H22N4O.3C13H21N3O2.2C13H21N3OS/c1-15(2)7-4-10-18(14(19)13(15)16-3)11-12-5-8-17-9-6-12;1-15(2)7-5-9-18(14(19)13(15)16-3)11-12-6-4-8-17-10-12;1-14(2)6-4-8-18(13(19)12(14)15-3)9-11-5-7-16-10-17-11;1-14(2)7-5-9-18(13(19)12(14)15-3)10-11-6-4-8-16-17-11;1-14(2)5-4-8-18(13(19)12(14)15-3)10-11-9-16-6-7-17-11;2*1-14(2)6-4-7-16(13(17)12(14)15-3)9-11-5-8-18-10-11;1-13(2)5-4-6-18(12(19)11(13)14-3)7-10-16-8-15-9-17-10;1-13(2)5-4-8-17(12(18)11(13)14-3)9-10-15-6-7-16-10;1-13(2)6-4-8-16(12(17)11(13)14-3)9-10-5-7-15-18-10;1-13(2)5-4-7-16(12(17)11(13)14-3)9-10-15-6-8-18-10;1-13(2)5-4-6-16(12(17)11(13)14-3)8-10-7-15-9-18-10;1-13(2)5-4-7-16(12(17)11(13)14-3)9-10-15-6-8-18-10;1-13(2)5-4-6-16(12(17)11(13)14-3)8-10-7-15-9-18-10/h5-6,8-9,13,16H,4,7,10-11H2,1-3H3;4,6,8,10,13,16H,5,7,9,11H2,1-3H3;5,7,10,12,15H,4,6,8-9H2,1-3H3;4,6,8,12,15H,5,7,9-10H2,1-3H3;6-7,9,12,15H,4-5,8,10H2,1-3H3;2*5,8,10,12,15H,4,6-7,9H2,1-3H3;8-9,11,14H,4-7H2,1-3H3;6-7,11,14H,4-5,8-9H2,1-3H3,(H,15,16);5,7,11,14H,4,6,8-9H2,1-3H3;6,8,11,14H,4-5,7,9H2,1-3H3;7,9,11,14H,4-6,8H2,1-3H3;6,8,11,14H,4-5,7,9H2,1-3H3;7,9,11,14H,4-6,8H2,1-3H3.
What are the key properties of 4,4-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one?
4,4-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one has a molecular weight of 3629.04 g/mol, XLogP of 21.52, 42 rotatable bonds, 15 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-(methylamino)-1-(1,2-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-oxazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrazin-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridazin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyridin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(pyrimidin-4-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-2-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3-thiazol-5-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(thiophen-3-ylmethyl)azepan-2-one;4,4-dimethyl-3-(methylamino)-1-(1,3,5-triazin-2-ylmethyl)azepan-2-one;1-(furan-3-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one;1-(1H-imidazol-2-ylmethyl)-4,4-dimethyl-3-(methylamino)azepan-2-one is sourced from PubChem (CID 158697371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).