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

C161H250N24O28S6 — CID 158582865

IUPAC1-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
SMILESCCN1CCCCC(NC)C1=O.CNC1C(=O)N(CC2CCCCS2)CCc2ccoc21.CNC1C(=O)N(CC2CCCOC2)CCc2ccoc21.CNC1C(=O)N(CC2CCCS2(=O)=O)CCc2ccoc21.CNC1C(=O)N(CC2CCCS2)CCc2ccoc21.CNC1C(=O)N(CC2CCCSC2)CCc2ccoc21.CNC1C(=O)N(CC2CCOC2)CCc2ccoc21.CNC1C(=O)N(CC2CCOCC2)CCc2ccoc21.CNC1C(=O)N(CC2CCS(=O)(=O)C2)CCc2ccoc21.CNC1C(=O)N(CC2CCSCC2)CCc2ccoc21.CNC1CCCCN(C(C)(C)C)C1=O.CNC1CCCCN(C(C)C)C1=O
InChIInChI=1S/2C15H22N2O3.3C15H22N2O2S.2C14H20N2O4S.C14H20N2O3.C14H20N2O2S.C11H22N2O.C10H20N2O.C9H18N2O/c1-16-13-14-12(5-9-20-14)2-6-17(15(13)18)10-11-3-7-19-8-4-11;1-16-13-14-12(5-8-20-14)4-6-17(15(13)18)9-11-3-2-7-19-10-11;1-16-13-14-12(3-7-19-14)2-6-17(15(13)18)10-11-4-8-20-9-5-11;1-16-13-14-12(5-7-19-14)4-6-17(15(13)18)9-11-3-2-8-20-10-11;1-16-13-14-11(6-8-19-14)5-7-17(15(13)18)10-12-4-2-3-9-20-12;1-15-12-13-11(3-6-20-13)2-5-16(14(12)17)8-10-4-7-21(18,19)9-10;1-15-12-13-10(5-7-20-13)4-6-16(14(12)17)9-11-3-2-8-21(11,18)19;1-15-12-13-11(4-7-19-13)2-5-16(14(12)17)8-10-3-6-18-9-10;1-15-12-13-10(5-7-18-13)4-6-16(14(12)17)9-11-3-2-8-19-11;1-11(2,3)13-8-6-5-7-9(12-4)10(13)14;1-8(2)12-7-5-4-6-9(11-3)10(12)13;1-3-11-7-5-4-6-8(10-2)9(11)12/h5,9,11,13,16H,2-4,6-8,10H2,1H3;5,8,11,13,16H,2-4,6-7,9-10H2,1H3;3,7,11,13,16H,2,4-6,8-10H2,1H3;5,7,11,13,16H,2-4,6,8-10H2,1H3;6,8,12-13,16H,2-5,7,9-10H2,1H3;3,6,10,12,15H,2,4-5,7-9H2,1H3;5,7,11-12,15H,2-4,6,8-9H2,1H3;4,7,10,12,15H,2-3,5-6,8-9H2,1H3;5,7,11-12,15H,2-4,6,8-9H2,1H3;9,12H,5-8H2,1-4H3;8-9,11H,4-7H2,1-3H3;8,10H,3-7H2,1-2H3
InChIKeyHTLUKJTYKIGINL-UHFFFAOYSA-N
MW3162.31 g/mol
LogP15.68
Rot. Bonds32

About 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

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 (PubChem CID 158582865) has the molecular formula C161H250N24O28S6 and a molecular weight of 3162.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158582865
Molecular FormulaC161H250N24O28S6
Molecular Weight3162.31 g/mol
Exact Mass3159.72
IUPAC Name1-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
SMILESCCN1CCCCC(NC)C1=O.CNC1C(=O)N(CC2CCCCS2)CCc2ccoc21.CNC1C(=O)N(CC2CCCOC2)CCc2ccoc21.CNC1C(=O)N(CC2CCCS2(=O)=O)CCc2ccoc21.CNC1C(=O)N(CC2CCCS2)CCc2ccoc21.CNC1C(=O)N(CC2CCCSC2)CCc2ccoc21.CNC1C(=O)N(CC2CCOC2)CCc2ccoc21.CNC1C(=O)N(CC2CCOCC2)CCc2ccoc21.CNC1C(=O)N(CC2CCS(=O)(=O)C2)CCc2ccoc21.CNC1C(=O)N(CC2CCSCC2)CCc2ccoc21.CNC1CCCCN(C(C)(C)C)C1=O.CNC1CCCCN(C(C)C)C1=O
InChIInChI=1S/2C15H22N2O3.3C15H22N2O2S.2C14H20N2O4S.C14H20N2O3.C14H20N2O2S.C11H22N2O.C10H20N2O.C9H18N2O/c1-16-13-14-12(5-9-20-14)2-6-17(15(13)18)10-11-3-7-19-8-4-11;1-16-13-14-12(5-8-20-14)4-6-17(15(13)18)9-11-3-2-7-19-10-11;1-16-13-14-12(3-7-19-14)2-6-17(15(13)18)10-11-4-8-20-9-5-11;1-16-13-14-12(5-7-19-14)4-6-17(15(13)18)9-11-3-2-8-20-10-11;1-16-13-14-11(6-8-19-14)5-7-17(15(13)18)10-12-4-2-3-9-20-12;1-15-12-13-11(3-6-20-13)2-5-16(14(12)17)8-10-4-7-21(18,19)9-10;1-15-12-13-10(5-7-20-13)4-6-16(14(12)17)9-11-3-2-8-21(11,18)19;1-15-12-13-11(4-7-19-13)2-5-16(14(12)17)8-10-3-6-18-9-10;1-15-12-13-10(5-7-18-13)4-6-16(14(12)17)9-11-3-2-8-19-11;1-11(2,3)13-8-6-5-7-9(12-4)10(13)14;1-8(2)12-7-5-4-6-9(11-3)10(12)13;1-3-11-7-5-4-6-8(10-2)9(11)12/h5,9,11,13,16H,2-4,6-8,10H2,1H3;5,8,11,13,16H,2-4,6-7,9-10H2,1H3;3,7,11,13,16H,2,4-6,8-10H2,1H3;5,7,11,13,16H,2-4,6,8-10H2,1H3;6,8,12-13,16H,2-5,7,9-10H2,1H3;3,6,10,12,15H,2,4-5,7-9H2,1H3;5,7,11-12,15H,2-4,6,8-9H2,1H3;4,7,10,12,15H,2-3,5-6,8-9H2,1H3;5,7,11-12,15H,2-4,6,8-9H2,1H3;9,12H,5-8H2,1-4H3;8-9,11H,4-7H2,1-3H3;8,10H,3-7H2,1-2H3
InChIKeyHTLUKJTYKIGINL-UHFFFAOYSA-N
XLogP15.68
TPSA602.31 Ų
H-Bond Donors12
H-Bond Acceptors44
Rotatable Bonds32
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003162.31
LogP ≤ 515.68
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1044

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN1CCCCC(NC)C1=O.CNC1C(=O)N(CC2CCCCS2)CCc2ccoc21.CNC1C(=O)N(CC2CCCOC2)CCc2ccoc21.CNC1C(=O)N(CC2CCCS2(=O)=O)CCc2ccoc21.CNC1C(=O)N(CC2CCCS2)CCc2ccoc21.CNC1C(=O)N(CC2CCCSC2)CCc2ccoc21.CNC1C(=O)N(CC2CCOC2)CCc2ccoc21.CNC1C(=O)N(CC2CCOCC2)CCc2ccoc21.CNC1C(=O)N(CC2CCS(=O)(=O)C2)CCc2ccoc21.CNC1C(=O)N(CC2CCSCC2)CCc2ccoc21.CNC1CCCCN(C(C)(C)C)C1=O.CNC1CCCCN(C(C)C)C1=O.
What is the InChIKey of 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?
The InChIKey is HTLUKJTYKIGINL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H22N2O3.3C15H22N2O2S.2C14H20N2O4S.C14H20N2O3.C14H20N2O2S.C11H22N2O.C10H20N2O.C9H18N2O/c1-16-13-14-12(5-9-20-14)2-6-17(15(13)18)10-11-3-7-19-8-4-11;1-16-13-14-12(5-8-20-14)4-6-17(15(13)18)9-11-3-2-7-19-10-11;1-16-13-14-12(3-7-19-14)2-6-17(15(13)18)10-11-4-8-20-9-5-11;1-16-13-14-12(5-7-19-14)4-6-17(15(13)18)9-11-3-2-8-20-10-11;1-16-13-14-11(6-8-19-14)5-7-17(15(13)18)10-12-4-2-3-9-20-12;1-15-12-13-11(3-6-20-13)2-5-16(14(12)17)8-10-4-7-21(18,19)9-10;1-15-12-13-10(5-7-20-13)4-6-16(14(12)17)9-11-3-2-8-21(11,18)19;1-15-12-13-11(4-7-19-13)2-5-16(14(12)17)8-10-3-6-18-9-10;1-15-12-13-10(5-7-18-13)4-6-16(14(12)17)9-11-3-2-8-19-11;1-11(2,3)13-8-6-5-7-9(12-4)10(13)14;1-8(2)12-7-5-4-6-9(11-3)10(12)13;1-3-11-7-5-4-6-8(10-2)9(11)12/h5,9,11,13,16H,2-4,6-8,10H2,1H3;5,8,11,13,16H,2-4,6-7,9-10H2,1H3;3,7,11,13,16H,2,4-6,8-10H2,1H3;5,7,11,13,16H,2-4,6,8-10H2,1H3;6,8,12-13,16H,2-5,7,9-10H2,1H3;3,6,10,12,15H,2,4-5,7-9H2,1H3;5,7,11-12,15H,2-4,6,8-9H2,1H3;4,7,10,12,15H,2-3,5-6,8-9H2,1H3;5,7,11-12,15H,2-4,6,8-9H2,1H3;9,12H,5-8H2,1-4H3;8-9,11H,4-7H2,1-3H3;8,10H,3-7H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 3162.31 g/mol, XLogP of 15.68, 32 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158582865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).