1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(cyclohexylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-[(1,1-dioxothian-3-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one

C168H312N24O20S5 — CID 159863035

IUPAC1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(cyclohexylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-[(1,1-dioxothian-3-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one
SMILESCNC1CCCC(C)N(CC2CCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCCS2)C1=O.CNC1CCCC(C)N(CC2CCCOC2)C1=O.CNC1CCCC(C)N(CC2CCCS(=O)(=O)C2)C1=O.CNC1CCCC(C)N(CC2CCCS2)C1=O.CNC1CCCC(C)N(CC2CCOC2)C1=O.CNC1CCCC(C)N(CC2CCOCC2)C1=O.CNC1CCCC(C)N(CC2CCS(=O)(=O)CC2)C1=O.CNC1CCCC(C)N(CC2CCSC2)C1=O.CNC1CCCC(C)N(CC2COC2)C1=O
InChIInChI=1S/C16H30N2O.C15H28N2OS.2C15H28N2O.2C14H26N2O3S.2C14H26N2O2.C13H24N2O2.2C13H24N2OS.C12H22N2O2/c1-13-8-7-11-15(17-2)16(19)18(13)12-14-9-5-3-4-6-10-14;1-12-7-6-9-14(16-2)15(18)17(12)11-13-8-4-3-5-10-19-13;2*1-12-7-6-10-14(16-2)15(18)17(12)11-13-8-4-3-5-9-13;1-11-5-3-7-13(15-2)14(17)16(11)9-12-6-4-8-20(18,19)10-12;1-11-4-3-5-13(15-2)14(17)16(11)10-12-6-8-20(18,19)9-7-12;1-11-5-3-7-13(15-2)14(17)16(11)9-12-6-4-8-18-10-12;1-11-4-3-5-13(15-2)14(17)16(11)10-12-6-8-18-9-7-12;1-10-4-3-5-12(14-2)13(16)15(10)8-11-6-7-17-9-11;1-10-5-3-7-12(14-2)13(16)15(10)9-11-6-4-8-17-11;1-10-4-3-5-12(14-2)13(16)15(10)8-11-6-7-17-9-11;1-9-4-3-5-11(13-2)12(15)14(9)6-10-7-16-8-10/h13-15,17H,3-12H2,1-2H3;12-14,16H,3-11H2,1-2H3;2*12-14,16H,3-11H2,1-2H3;2*11-13,15H,3-10H2,1-2H3;2*11-13,15H,3-10H2,1-2H3;3*10-12,14H,3-9H2,1-2H3;9-11,13H,3-8H2,1-2H3
InChIKeyNRJSERKAAXZIAP-UHFFFAOYSA-N
MW3148.83 g/mol
LogP20.35
Rot. Bonds36

About 1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(cyclohexylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-[(1,1-dioxothian-3-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one

1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(cyclohexylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-[(1,1-dioxothian-3-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one (PubChem CID 159863035) has the molecular formula C168H312N24O20S5 and a molecular weight of 3148.83 g/mol. Its IUPAC name is 1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(cyclohexylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-[(1,1-dioxothian-3-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one.

Molecular Properties

Compound Name1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(cyclohexylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-[(1,1-dioxothian-3-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one
PubChem CID159863035
Molecular FormulaC168H312N24O20S5
Molecular Weight3148.83 g/mol
Exact Mass3146.27
IUPAC Name1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(cyclohexylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-[(1,1-dioxothian-3-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one
SMILESCNC1CCCC(C)N(CC2CCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCCS2)C1=O.CNC1CCCC(C)N(CC2CCCOC2)C1=O.CNC1CCCC(C)N(CC2CCCS(=O)(=O)C2)C1=O.CNC1CCCC(C)N(CC2CCCS2)C1=O.CNC1CCCC(C)N(CC2CCOC2)C1=O.CNC1CCCC(C)N(CC2CCOCC2)C1=O.CNC1CCCC(C)N(CC2CCS(=O)(=O)CC2)C1=O.CNC1CCCC(C)N(CC2CCSC2)C1=O.CNC1CCCC(C)N(CC2COC2)C1=O
InChIInChI=1S/C16H30N2O.C15H28N2OS.2C15H28N2O.2C14H26N2O3S.2C14H26N2O2.C13H24N2O2.2C13H24N2OS.C12H22N2O2/c1-13-8-7-11-15(17-2)16(19)18(13)12-14-9-5-3-4-6-10-14;1-12-7-6-9-14(16-2)15(18)17(12)11-13-8-4-3-5-10-19-13;2*1-12-7-6-10-14(16-2)15(18)17(12)11-13-8-4-3-5-9-13;1-11-5-3-7-13(15-2)14(17)16(11)9-12-6-4-8-20(18,19)10-12;1-11-4-3-5-13(15-2)14(17)16(11)10-12-6-8-20(18,19)9-7-12;1-11-5-3-7-13(15-2)14(17)16(11)9-12-6-4-8-18-10-12;1-11-4-3-5-13(15-2)14(17)16(11)10-12-6-8-18-9-7-12;1-10-4-3-5-12(14-2)13(16)15(10)8-11-6-7-17-9-11;1-10-5-3-7-12(14-2)13(16)15(10)9-11-6-4-8-17-11;1-10-4-3-5-12(14-2)13(16)15(10)8-11-6-7-17-9-11;1-9-4-3-5-11(13-2)12(15)14(9)6-10-7-16-8-10/h13-15,17H,3-12H2,1-2H3;12-14,16H,3-11H2,1-2H3;2*12-14,16H,3-11H2,1-2H3;2*11-13,15H,3-10H2,1-2H3;2*11-13,15H,3-10H2,1-2H3;3*10-12,14H,3-9H2,1-2H3;9-11,13H,3-8H2,1-2H3
InChIKeyNRJSERKAAXZIAP-UHFFFAOYSA-N
XLogP20.35
TPSA493.28 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds36
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003148.83
LogP ≤ 520.35
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Analyze 1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(cyclohexylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-[(1,1-dioxothian-3-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one with MolForge

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Related Compounds

tris(4-(cyclohexylmethyl)-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one);4-(cyclopentylmethyl)-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;4-[(1,1-dioxothian-3-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;4-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(oxolan-3-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(thian-3-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(thiolan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(thiolan-3-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxan-3-ylmethyl)-1,1-dioxo-1,4-thiazepan-5-one;6-(methylamino)-4-(oxan-4-ylmethyl)-1,1-dioxo-1,4-thiazepan-5-one;6-(methylamino)-4-(oxetan-3-ylmethyl)-1,1-dioxo-1,4-thiazepan-5-one
CID 159937832
1-[(1,1-dioxothian-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-2-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one
CID 158661421
tris(1-(cyclohexylmethyl)-4-methyl-3-(methylamino)azepan-2-one);1-(cyclopentylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one
CID 160610876
4-[(1,1-dioxothian-3-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;4-[(1,1-dioxothian-4-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;4-[(1,1-dioxothiolan-2-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;4-[(1,1-dioxothiolan-3-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;4-[(1-ethylpiperidin-3-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;4-[(1-ethylpiperidin-4-yl)methyl]-6-(methylamino)-1,1-dioxo-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(oxolan-3-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(thian-3-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(thiolan-2-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-1,1-dioxo-4-(thiolan-3-ylmethyl)-1,4-thiazepan-5-one;6-(methylamino)-4-(oxan-3-ylmethyl)-1,1-dioxo-1,4-thiazepan-5-one;6-(methylamino)-4-(oxan-4-ylmethyl)-1,1-dioxo-1,4-thiazepan-5-one;6-(methylamino)-4-(oxetan-3-ylmethyl)-1,1-dioxo-1,4-thiazepan-5-one
CID 162263412
1-[(1,1-dioxothiolan-2-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-6-methyl-3-(methylamino)azepan-2-one;6-methyl-3-(methylamino)-1-(thian-2-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thian-3-ylmethyl)azepan-2-one;6-methyl-3-(methylamino)-1-(thian-4-ylmethyl)azepan-2-one
CID 159524813
7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one
CID 22985312
6-tert-butyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;1-[(1,1-dioxothiolan-2-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;6-ethyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;3-(methylamino)-1-(oxan-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(oxan-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(oxolan-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;8-(methylamino)-6-propan-2-yl-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one;3-(methylamino)-1-(thian-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(thian-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(thian-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(thiolan-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(thiolan-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;6-methyl-8-(methylamino)-5,8-dihydro-4H-thieno[2,3-d]azepin-7-one
CID 160631944
1-[(1,1-dioxothian-3-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-[(1,1-dioxothian-4-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-[(1,1-dioxothiolan-2-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-[(1,1-dioxothiolan-3-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-[(1-ethylazepan-2-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-[(1-ethylpiperidin-3-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(thian-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(thian-3-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(thian-4-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 159996257
1-tert-butyl-3-(methylamino)azepan-2-one;6-[(1,1-dioxothiolan-2-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;6-[(1,1-dioxothiolan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;1-ethyl-3-(methylamino)azepan-2-one;8-(methylamino)-6-(oxan-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(oxan-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(oxolan-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;3-(methylamino)-1-propan-2-ylazepan-2-one;8-(methylamino)-6-(thian-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(thian-3-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(thian-4-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one;8-(methylamino)-6-(thiolan-2-ylmethyl)-5,8-dihydro-4H-furo[2,3-d]azepin-7-one
CID 158582865
3-[(1,1-dioxothian-3-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(1,1-dioxothian-4-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(1-ethylazepan-2-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(1-ethylpiperidin-3-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;3-[(1-ethylpiperidin-4-yl)methyl]-5-(methylamino)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(oxan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(oxepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(oxetan-3-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(oxolan-3-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one;5-(methylamino)-3-(thiepan-2-ylmethyl)-3-azabicyclo[5.1.0]octan-4-one
CID 162088580
1-(cyclohexylmethyl)-3-(methylamino)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one;3-(methylamino)-1-(thiepan-2-ylmethyl)-3,4,5,5a,6,7,8,8a-octahydrocyclopenta[b]azepin-2-one
CID 90725296
6-tert-butyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;6-(cyclopentylmethyl)-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;6-[(1,1-dioxothiolan-3-yl)methyl]-8-(methylamino)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;6-ethyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(oxan-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(oxan-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(oxolan-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-propan-2-yl-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(thian-2-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(thian-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(thian-4-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(thiolan-2-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;8-(methylamino)-6-(thiolan-3-ylmethyl)-5,8-dihydro-4H-[1,3]thiazolo[4,5-d]azepin-7-one;6-methyl-8-(methylamino)-5,8-dihydro-4H-[1,3]oxazolo[4,5-d]azepin-7-one
CID 159032871

Frequently Asked Questions

What is the IUPAC name of 1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(cyclohexylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-[(1,1-dioxothian-3-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one?
The IUPAC name of 1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(cyclohexylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-[(1,1-dioxothian-3-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one (CID 159863035) is 1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(cyclohexylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-[(1,1-dioxothian-3-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one.
What is the SMILES notation for 1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(cyclohexylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-[(1,1-dioxothian-3-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one?
The canonical SMILES for 1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(cyclohexylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-[(1,1-dioxothian-3-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one is CNC1CCCC(C)N(CC2CCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCCC2)C1=O.CNC1CCCC(C)N(CC2CCCCCS2)C1=O.CNC1CCCC(C)N(CC2CCCOC2)C1=O.CNC1CCCC(C)N(CC2CCCS(=O)(=O)C2)C1=O.CNC1CCCC(C)N(CC2CCCS2)C1=O.CNC1CCCC(C)N(CC2CCOC2)C1=O.CNC1CCCC(C)N(CC2CCOCC2)C1=O.CNC1CCCC(C)N(CC2CCS(=O)(=O)CC2)C1=O.CNC1CCCC(C)N(CC2CCSC2)C1=O.CNC1CCCC(C)N(CC2COC2)C1=O.
What is the InChIKey of 1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(cyclohexylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-[(1,1-dioxothian-3-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one?
The InChIKey is NRJSERKAAXZIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O.C15H28N2OS.2C15H28N2O.2C14H26N2O3S.2C14H26N2O2.C13H24N2O2.2C13H24N2OS.C12H22N2O2/c1-13-8-7-11-15(17-2)16(19)18(13)12-14-9-5-3-4-6-10-14;1-12-7-6-9-14(16-2)15(18)17(12)11-13-8-4-3-5-10-19-13;2*1-12-7-6-10-14(16-2)15(18)17(12)11-13-8-4-3-5-9-13;1-11-5-3-7-13(15-2)14(17)16(11)9-12-6-4-8-20(18,19)10-12;1-11-4-3-5-13(15-2)14(17)16(11)10-12-6-8-20(18,19)9-7-12;1-11-5-3-7-13(15-2)14(17)16(11)9-12-6-4-8-18-10-12;1-11-4-3-5-13(15-2)14(17)16(11)10-12-6-8-18-9-7-12;1-10-4-3-5-12(14-2)13(16)15(10)8-11-6-7-17-9-11;1-10-5-3-7-12(14-2)13(16)15(10)9-11-6-4-8-17-11;1-10-4-3-5-12(14-2)13(16)15(10)8-11-6-7-17-9-11;1-9-4-3-5-11(13-2)12(15)14(9)6-10-7-16-8-10/h13-15,17H,3-12H2,1-2H3;12-14,16H,3-11H2,1-2H3;2*12-14,16H,3-11H2,1-2H3;2*11-13,15H,3-10H2,1-2H3;2*11-13,15H,3-10H2,1-2H3;3*10-12,14H,3-9H2,1-2H3;9-11,13H,3-8H2,1-2H3.
What are the key properties of 1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(cyclohexylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-[(1,1-dioxothian-3-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one?
1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(cyclohexylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-[(1,1-dioxothian-3-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one has a molecular weight of 3148.83 g/mol, XLogP of 20.35, 36 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylmethyl)-7-methyl-3-(methylamino)azepan-2-one;bis(1-(cyclohexylmethyl)-7-methyl-3-(methylamino)azepan-2-one);1-[(1,1-dioxothian-3-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;1-[(1,1-dioxothian-4-yl)methyl]-7-methyl-3-(methylamino)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxan-4-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxetan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(oxolan-3-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-2-ylmethyl)azepan-2-one;7-methyl-3-(methylamino)-1-(thiolan-3-ylmethyl)azepan-2-one is sourced from PubChem (CID 159863035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).