N-[2,6-dimethyl-4-(2-methyl-4,5,6,7-tetrahydrothieno[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydrofuro[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydrofuro[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(2,3,4,5-tetrahydropyrido[4,3-b]azepin-1-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide

C176H243N21O10S3 — CID 158440248

IUPACN-[2,6-dimethyl-4-(2-methyl-4,5,6,7-tetrahydrothieno[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydrofuro[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydrofuro[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(2,3,4,5-tetrahydropyrido[4,3-b]azepin-1-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide
SMILESCc1cc(N2CCCCc3[nH]ccc32)cc(C)c1NC(=O)CC(C)(C)C.Cc1cc(N2CCCCc3cc[nH]c32)cc(C)c1NC(=O)CC(C)(C)C.Cc1cc(N2CCCCc3ccoc32)cc(C)c1NC(=O)CC(C)(C)C.Cc1cc(N2CCCCc3cnccc32)cc(C)c1NC(=O)CC(C)(C)C.Cc1cc(N2CCCCc3ncsc32)cc(C)c1NC(=O)CC(C)(C)C.Cc1cc(N2CCCCc3occc32)cc(C)c1NC(=O)CC(C)(C)C.Cc1cc(N2CCCCc3scnc32)cc(C)c1NC(=O)CC(C)(C)C.Cc1cc2c(s1)N(c1cc(C)c(NC(=O)CC(C)(C)C)c(C)c1)CCCC2
InChIInChI=1S/C23H31N3O.C23H32N2OS.2C22H31N3O.2C22H30N2O2.2C21H29N3OS/c1-16-12-19(13-17(2)22(16)25-21(27)14-23(3,4)5)26-11-7-6-8-18-15-24-10-9-20(18)26;1-15-11-19(12-16(2)21(15)24-20(26)14-23(4,5)6)25-10-8-7-9-18-13-17(3)27-22(18)25;1-15-12-17(25-11-7-6-8-18-19(25)9-10-23-18)13-16(2)21(15)24-20(26)14-22(3,4)5;1-15-12-18(25-11-7-6-8-17-9-10-23-21(17)25)13-16(2)20(15)24-19(26)14-22(3,4)5;1-15-12-17(24-10-7-6-8-19-18(24)9-11-26-19)13-16(2)21(15)23-20(25)14-22(3,4)5;1-15-12-18(24-10-7-6-8-17-9-11-26-21(17)24)13-16(2)20(15)23-19(25)14-22(3,4)5;1-14-10-16(24-9-7-6-8-17-20(24)22-13-26-17)11-15(2)19(14)23-18(25)12-21(3,4)5;1-14-10-16(24-9-7-6-8-17-20(24)26-13-22-17)11-15(2)19(14)23-18(25)12-21(3,4)5/h9-10,12-13,15H,6-8,11,14H2,1-5H3,(H,25,27);11-13H,7-10,14H2,1-6H3,(H,24,26);2*9-10,12-13,23H,6-8,11,14H2,1-5H3,(H,24,26);2*9,11-13H,6-8,10,14H2,1-5H3,(H,23,25);2*10-11,13H,6-9,12H2,1-5H3,(H,23,25)
InChIKeyHCSQIKDWTIQEID-UHFFFAOYSA-N
MW2909.22 g/mol
LogP45.74
Rot. Bonds24

About N-[2,6-dimethyl-4-(2-methyl-4,5,6,7-tetrahydrothieno[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydrofuro[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydrofuro[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(2,3,4,5-tetrahydropyrido[4,3-b]azepin-1-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide

N-[2,6-dimethyl-4-(2-methyl-4,5,6,7-tetrahydrothieno[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydrofuro[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydrofuro[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(2,3,4,5-tetrahydropyrido[4,3-b]azepin-1-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide (PubChem CID 158440248) has the molecular formula C176H243N21O10S3 and a molecular weight of 2909.22 g/mol. Its IUPAC name is N-[2,6-dimethyl-4-(2-methyl-4,5,6,7-tetrahydrothieno[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydrofuro[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydrofuro[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(2,3,4,5-tetrahydropyrido[4,3-b]azepin-1-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2,6-dimethyl-4-(2-methyl-4,5,6,7-tetrahydrothieno[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydrofuro[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydrofuro[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(2,3,4,5-tetrahydropyrido[4,3-b]azepin-1-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide
PubChem CID158440248
Molecular FormulaC176H243N21O10S3
Molecular Weight2909.22 g/mol
Exact Mass2906.83
IUPAC NameN-[2,6-dimethyl-4-(2-methyl-4,5,6,7-tetrahydrothieno[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydrofuro[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydrofuro[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(2,3,4,5-tetrahydropyrido[4,3-b]azepin-1-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide
SMILESCc1cc(N2CCCCc3[nH]ccc32)cc(C)c1NC(=O)CC(C)(C)C.Cc1cc(N2CCCCc3cc[nH]c32)cc(C)c1NC(=O)CC(C)(C)C.Cc1cc(N2CCCCc3ccoc32)cc(C)c1NC(=O)CC(C)(C)C.Cc1cc(N2CCCCc3cnccc32)cc(C)c1NC(=O)CC(C)(C)C.Cc1cc(N2CCCCc3ncsc32)cc(C)c1NC(=O)CC(C)(C)C.Cc1cc(N2CCCCc3occc32)cc(C)c1NC(=O)CC(C)(C)C.Cc1cc(N2CCCCc3scnc32)cc(C)c1NC(=O)CC(C)(C)C.Cc1cc2c(s1)N(c1cc(C)c(NC(=O)CC(C)(C)C)c(C)c1)CCCC2
InChIInChI=1S/C23H31N3O.C23H32N2OS.2C22H31N3O.2C22H30N2O2.2C21H29N3OS/c1-16-12-19(13-17(2)22(16)25-21(27)14-23(3,4)5)26-11-7-6-8-18-15-24-10-9-20(18)26;1-15-11-19(12-16(2)21(15)24-20(26)14-23(4,5)6)25-10-8-7-9-18-13-17(3)27-22(18)25;1-15-12-17(25-11-7-6-8-18-19(25)9-10-23-18)13-16(2)21(15)24-20(26)14-22(3,4)5;1-15-12-18(25-11-7-6-8-17-9-10-23-21(17)25)13-16(2)20(15)24-19(26)14-22(3,4)5;1-15-12-17(24-10-7-6-8-19-18(24)9-11-26-19)13-16(2)21(15)23-20(25)14-22(3,4)5;1-15-12-18(24-10-7-6-8-17-9-11-26-21(17)24)13-16(2)20(15)23-19(25)14-22(3,4)5;1-14-10-16(24-9-7-6-8-17-20(24)22-13-26-17)11-15(2)19(14)23-18(25)12-21(3,4)5;1-14-10-16(24-9-7-6-8-17-20(24)26-13-22-17)11-15(2)19(14)23-18(25)12-21(3,4)5/h9-10,12-13,15H,6-8,11,14H2,1-5H3,(H,25,27);11-13H,7-10,14H2,1-6H3,(H,24,26);2*9-10,12-13,23H,6-8,11,14H2,1-5H3,(H,24,26);2*9,11-13H,6-8,10,14H2,1-5H3,(H,23,25);2*10-11,13H,6-9,12H2,1-5H3,(H,23,25)
InChIKeyHCSQIKDWTIQEID-UHFFFAOYSA-N
XLogP45.74
TPSA355.25 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002909.22
LogP ≤ 545.74
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Analyze N-[2,6-dimethyl-4-(2-methyl-4,5,6,7-tetrahydrothieno[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydrofuro[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydrofuro[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(2,3,4,5-tetrahydropyrido[4,3-b]azepin-1-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide with MolForge

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Related Compounds

2,3-dihydro-1H-1-benzazepine;1,2,3,4,5,6-hexahydro-1-benzazocine;2,3,4,5-tetrahydro-1H-1-benzazepine;1,2,3,5-tetrahydro-4,1-benzothiazepine;2,3,4,5-tetrahydro-1,5-benzothiazepine;3,4,5,6-tetrahydro-2H-1,6-benzothiazocine;1,2,3,5-tetrahydro-4,1-benzoxazepine;2,3,4,5-tetrahydro-1,5-benzoxazepine;3,4,5,6-tetrahydro-2H-1,6-benzoxazocine;5,6,7,8-tetrahydro-4H-furo[2,3-b]azepine;5,6,7,8-tetrahydro-4H-furo[3,2-b]azepine;2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepine;2,3,4,5-tetrahydro-1H-pyrido[4,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepine;6,7,8,9-tetrahydro-5H-pyrido[3,2-b]azepine;5,6,7,8-tetrahydro-4H-thieno[2,3-b]azepine;5,6,7,8-tetrahydro-4H-thieno[3,2-b]azepine
CID 158057463
1,10-Diazaheptacyclo[15.10.1.02,10.04,9.011,16.021,28.022,27]octacosa-2,4,6,8,11,13,15,17(28),18,20,22,24,26-tridecaene;1,3-diazahexacyclo[11.10.1.02,6.07,12.017,24.018,23]tetracosa-2(6),4,7,9,11,13,15,17(24),18,20,22-undecaene;1,4-diazahexacyclo[11.10.1.02,6.07,12.017,24.018,23]tetracosa-2,5,7,9,11,13,15,17(24),18,20,22-undecaene;1,6-diazahexacyclo[11.10.1.02,6.07,12.017,24.018,23]tetracosa-2,4,7,9,11,13(24),14,16,18,20,22-undecaene;5-oxa-1-azahexacyclo[11.10.1.02,6.07,12.017,24.018,23]tetracosa-2(6),3,7,9,11,13,15,17(24),18,20,22-undecaene;3-thia-1-azahexacyclo[11.10.1.02,6.07,12.017,24.018,23]tetracosa-2(6),4,7,9,11,13,15,17(24),18,20,22-undecaene
CID 159403855
1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-7-phenyl-1-(1H-pyrrol-2-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one
CID 159734493
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(furan-2-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-oxadiazol-3-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-7-phenyl-1-(1H-pyrrol-2-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one
CID 159933454
1-benzyl-3-(methylamino)-7-phenylazepan-2-one;1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-2-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(pyridin-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,2,4-thiadiazol-3-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-ylmethyl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one
CID 160660069
1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(1,3-oxazol-4-ylmethyl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-1-(1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-4-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one
CID 160875011
1-(furan-3-yl)-3-(methylamino)-7-phenylazepan-2-one;1-(1H-imidazol-5-yl)-3-(methylamino)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-oxazol-4-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(5-methyl-1,2,4-thiadiazol-3-yl)-7-phenylazepan-2-one;3-(methylamino)-1-(2-methyl-1,3-thiazol-4-yl)-7-phenylazepan-2-one;tris(3-(methylamino)-1-(1,3-oxazol-2-yl)-7-phenylazepan-2-one);3-(methylamino)-7-phenyl-1-(1H-pyrrol-3-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-(1,3-thiazol-2-yl)azepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-2-ylazepan-2-one;3-(methylamino)-7-phenyl-1-thiophen-3-ylazepan-2-one
CID 161921610

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dimethyl-4-(2-methyl-4,5,6,7-tetrahydrothieno[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydrofuro[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydrofuro[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(2,3,4,5-tetrahydropyrido[4,3-b]azepin-1-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2,6-dimethyl-4-(2-methyl-4,5,6,7-tetrahydrothieno[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydrofuro[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydrofuro[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(2,3,4,5-tetrahydropyrido[4,3-b]azepin-1-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide (CID 158440248) is N-[2,6-dimethyl-4-(2-methyl-4,5,6,7-tetrahydrothieno[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydrofuro[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydrofuro[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(2,3,4,5-tetrahydropyrido[4,3-b]azepin-1-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2,6-dimethyl-4-(2-methyl-4,5,6,7-tetrahydrothieno[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydrofuro[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydrofuro[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(2,3,4,5-tetrahydropyrido[4,3-b]azepin-1-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2,6-dimethyl-4-(2-methyl-4,5,6,7-tetrahydrothieno[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydrofuro[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydrofuro[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(2,3,4,5-tetrahydropyrido[4,3-b]azepin-1-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide is Cc1cc(N2CCCCc3[nH]ccc32)cc(C)c1NC(=O)CC(C)(C)C.Cc1cc(N2CCCCc3cc[nH]c32)cc(C)c1NC(=O)CC(C)(C)C.Cc1cc(N2CCCCc3ccoc32)cc(C)c1NC(=O)CC(C)(C)C.Cc1cc(N2CCCCc3cnccc32)cc(C)c1NC(=O)CC(C)(C)C.Cc1cc(N2CCCCc3ncsc32)cc(C)c1NC(=O)CC(C)(C)C.Cc1cc(N2CCCCc3occc32)cc(C)c1NC(=O)CC(C)(C)C.Cc1cc(N2CCCCc3scnc32)cc(C)c1NC(=O)CC(C)(C)C.Cc1cc2c(s1)N(c1cc(C)c(NC(=O)CC(C)(C)C)c(C)c1)CCCC2.
What is the InChIKey of N-[2,6-dimethyl-4-(2-methyl-4,5,6,7-tetrahydrothieno[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydrofuro[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydrofuro[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(2,3,4,5-tetrahydropyrido[4,3-b]azepin-1-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide?
The InChIKey is HCSQIKDWTIQEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O.C23H32N2OS.2C22H31N3O.2C22H30N2O2.2C21H29N3OS/c1-16-12-19(13-17(2)22(16)25-21(27)14-23(3,4)5)26-11-7-6-8-18-15-24-10-9-20(18)26;1-15-11-19(12-16(2)21(15)24-20(26)14-23(4,5)6)25-10-8-7-9-18-13-17(3)27-22(18)25;1-15-12-17(25-11-7-6-8-18-19(25)9-10-23-18)13-16(2)21(15)24-20(26)14-22(3,4)5;1-15-12-18(25-11-7-6-8-17-9-10-23-21(17)25)13-16(2)20(15)24-19(26)14-22(3,4)5;1-15-12-17(24-10-7-6-8-19-18(24)9-11-26-19)13-16(2)21(15)23-20(25)14-22(3,4)5;1-15-12-18(24-10-7-6-8-17-9-11-26-21(17)24)13-16(2)20(15)23-19(25)14-22(3,4)5;1-14-10-16(24-9-7-6-8-17-20(24)22-13-26-17)11-15(2)19(14)23-18(25)12-21(3,4)5;1-14-10-16(24-9-7-6-8-17-20(24)26-13-22-17)11-15(2)19(14)23-18(25)12-21(3,4)5/h9-10,12-13,15H,6-8,11,14H2,1-5H3,(H,25,27);11-13H,7-10,14H2,1-6H3,(H,24,26);2*9-10,12-13,23H,6-8,11,14H2,1-5H3,(H,24,26);2*9,11-13H,6-8,10,14H2,1-5H3,(H,23,25);2*10-11,13H,6-9,12H2,1-5H3,(H,23,25).
What are the key properties of N-[2,6-dimethyl-4-(2-methyl-4,5,6,7-tetrahydrothieno[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydrofuro[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydrofuro[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(2,3,4,5-tetrahydropyrido[4,3-b]azepin-1-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide?
N-[2,6-dimethyl-4-(2-methyl-4,5,6,7-tetrahydrothieno[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydrofuro[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydrofuro[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(2,3,4,5-tetrahydropyrido[4,3-b]azepin-1-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide has a molecular weight of 2909.22 g/mol, XLogP of 45.74, 24 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dimethyl-4-(2-methyl-4,5,6,7-tetrahydrothieno[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydrofuro[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydrofuro[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(2,3,4,5-tetrahydropyrido[4,3-b]azepin-1-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]azepin-8-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[4,5-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide;N-[2,6-dimethyl-4-(5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-b]azepin-4-yl)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 158440248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).