1-(cyclobutylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-4-methyl-3-(methylamino)azepan-2-one;bis(1-[(1,1-dioxothian-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one);1-[(1-ethylazepan-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxetan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one

C200H374N30O23S3 — CID 157187055

IUPAC1-(cyclobutylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-4-methyl-3-(methylamino)azepan-2-one;bis(1-[(1,1-dioxothian-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one);1-[(1-ethylazepan-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxetan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one
SMILESCCN1CCCCC(CN2CCCC(C)C(NC)C2=O)C1.CCN1CCCCCC1CN1CCCC(C)C(NC)C1=O.CNC1C(=O)N(CC2CCC2)CCCC1C.CNC1C(=O)N(CC2CCCC2)CCCC1C.CNC1C(=O)N(CC2CCCCC2)CCCC1C.CNC1C(=O)N(CC2CCCCCC2)CCCC1C.CNC1C(=O)N(CC2CCCCCO2)CCCC1C.CNC1C(=O)N(CC2CCCCCS2)CCCC1C.CNC1C(=O)N(CC2CCCCO2)CCCC1C.CNC1C(=O)N(CC2CCCCS2(=O)=O)CCCC1C.CNC1C(=O)N(CC2CCCCS2(=O)=O)CCCC1C.CNC1C(=O)N(CC2CCCO2)CCCC1C.CNC1C(=O)N(CC2CCO2)CCCC1C.CNC1C(=O)N(CC2CO2)CCCC1C
InChIInChI=1S/2C17H33N3O.C16H30N2O.C15H28N2O2.C15H28N2OS.C15H28N2O.2C14H26N2O3S.C14H26N2O2.C14H26N2O.C13H24N2O2.C13H24N2O.C12H22N2O2.C11H20N2O2/c1-4-19-10-6-5-9-15(12-19)13-20-11-7-8-14(2)16(18-3)17(20)21;1-4-19-11-7-5-6-10-15(19)13-20-12-8-9-14(2)16(18-3)17(20)21;1-13-8-7-11-18(16(19)15(13)17-2)12-14-9-5-3-4-6-10-14;2*1-12-7-6-9-17(15(18)14(12)16-2)11-13-8-4-3-5-10-19-13;1-12-7-6-10-17(15(18)14(12)16-2)11-13-8-4-3-5-9-13;2*1-11-6-5-8-16(14(17)13(11)15-2)10-12-7-3-4-9-20(12,18)19;1-11-6-5-8-16(14(17)13(11)15-2)10-12-7-3-4-9-18-12;1-11-6-5-9-16(14(17)13(11)15-2)10-12-7-3-4-8-12;1-10-5-3-7-15(13(16)12(10)14-2)9-11-6-4-8-17-11;1-10-5-4-8-15(9-11-6-3-7-11)13(16)12(10)14-2;1-9-4-3-6-14(8-10-5-7-16-10)12(15)11(9)13-2;1-8-4-3-5-13(6-9-7-15-9)11(14)10(8)12-2/h2*14-16,18H,4-13H2,1-3H3;13-15,17H,3-12H2,1-2H3;2*12-14,16H,3-11H2,1-2H3;12-14,16H,3-11H2,1-2H3;2*11-13,15H,3-10H2,1-2H3;11-13,15H,3-10H2,1-2H3;11-13,15H,3-10H2,1-2H3;10-12,14H,3-9H2,1-2H3;10-12,14H,3-9H2,1-2H3;9-11,13H,3-8H2,1-2H3;8-10,12H,3-7H2,1-2H3
InChIKeyAPFZTFRFWHMADJ-UHFFFAOYSA-N
MW3663.58 g/mol
LogP22.09
Rot. Bonds44

About 1-(cyclobutylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-4-methyl-3-(methylamino)azepan-2-one;bis(1-[(1,1-dioxothian-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one);1-[(1-ethylazepan-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxetan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one

1-(cyclobutylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-4-methyl-3-(methylamino)azepan-2-one;bis(1-[(1,1-dioxothian-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one);1-[(1-ethylazepan-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxetan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one (PubChem CID 157187055) has the molecular formula C200H374N30O23S3 and a molecular weight of 3663.58 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-4-methyl-3-(methylamino)azepan-2-one;bis(1-[(1,1-dioxothian-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one);1-[(1-ethylazepan-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxetan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-4-methyl-3-(methylamino)azepan-2-one;bis(1-[(1,1-dioxothian-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one);1-[(1-ethylazepan-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxetan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one
PubChem CID157187055
Molecular FormulaC200H374N30O23S3
Molecular Weight3663.58 g/mol
Exact Mass3660.82
IUPAC Name1-(cyclobutylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-4-methyl-3-(methylamino)azepan-2-one;bis(1-[(1,1-dioxothian-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one);1-[(1-ethylazepan-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxetan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one
SMILESCCN1CCCCC(CN2CCCC(C)C(NC)C2=O)C1.CCN1CCCCCC1CN1CCCC(C)C(NC)C1=O.CNC1C(=O)N(CC2CCC2)CCCC1C.CNC1C(=O)N(CC2CCCC2)CCCC1C.CNC1C(=O)N(CC2CCCCC2)CCCC1C.CNC1C(=O)N(CC2CCCCCC2)CCCC1C.CNC1C(=O)N(CC2CCCCCO2)CCCC1C.CNC1C(=O)N(CC2CCCCCS2)CCCC1C.CNC1C(=O)N(CC2CCCCO2)CCCC1C.CNC1C(=O)N(CC2CCCCS2(=O)=O)CCCC1C.CNC1C(=O)N(CC2CCCCS2(=O)=O)CCCC1C.CNC1C(=O)N(CC2CCCO2)CCCC1C.CNC1C(=O)N(CC2CCO2)CCCC1C.CNC1C(=O)N(CC2CO2)CCCC1C
InChIInChI=1S/2C17H33N3O.C16H30N2O.C15H28N2O2.C15H28N2OS.C15H28N2O.2C14H26N2O3S.C14H26N2O2.C14H26N2O.C13H24N2O2.C13H24N2O.C12H22N2O2.C11H20N2O2/c1-4-19-10-6-5-9-15(12-19)13-20-11-7-8-14(2)16(18-3)17(20)21;1-4-19-11-7-5-6-10-15(19)13-20-12-8-9-14(2)16(18-3)17(20)21;1-13-8-7-11-18(16(19)15(13)17-2)12-14-9-5-3-4-6-10-14;2*1-12-7-6-9-17(15(18)14(12)16-2)11-13-8-4-3-5-10-19-13;1-12-7-6-10-17(15(18)14(12)16-2)11-13-8-4-3-5-9-13;2*1-11-6-5-8-16(14(17)13(11)15-2)10-12-7-3-4-9-20(12,18)19;1-11-6-5-8-16(14(17)13(11)15-2)10-12-7-3-4-9-18-12;1-11-6-5-9-16(14(17)13(11)15-2)10-12-7-3-4-8-12;1-10-5-3-7-15(13(16)12(10)14-2)9-11-6-4-8-17-11;1-10-5-4-8-15(9-11-6-3-7-11)13(16)12(10)14-2;1-9-4-3-6-14(8-10-5-7-16-10)12(15)11(9)13-2;1-8-4-3-5-13(6-9-7-15-9)11(14)10(8)12-2/h2*14-16,18H,4-13H2,1-3H3;13-15,17H,3-12H2,1-2H3;2*12-14,16H,3-11H2,1-2H3;12-14,16H,3-11H2,1-2H3;2*11-13,15H,3-10H2,1-2H3;11-13,15H,3-10H2,1-2H3;11-13,15H,3-10H2,1-2H3;10-12,14H,3-9H2,1-2H3;10-12,14H,3-9H2,1-2H3;9-11,13H,3-8H2,1-2H3;8-10,12H,3-7H2,1-2H3
InChIKeyAPFZTFRFWHMADJ-UHFFFAOYSA-N
XLogP22.09
TPSA576.97 Ų
H-Bond Donors14
H-Bond Acceptors40
Rotatable Bonds44
Heavy Atoms256
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003663.58
LogP ≤ 522.09
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-4-methyl-3-(methylamino)azepan-2-one;bis(1-[(1,1-dioxothian-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one);1-[(1-ethylazepan-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxetan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-4-methyl-3-(methylamino)azepan-2-one;bis(1-[(1,1-dioxothian-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one);1-[(1-ethylazepan-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxetan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one (CID 157187055) is 1-(cyclobutylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-4-methyl-3-(methylamino)azepan-2-one;bis(1-[(1,1-dioxothian-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one);1-[(1-ethylazepan-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxetan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-4-methyl-3-(methylamino)azepan-2-one;bis(1-[(1,1-dioxothian-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one);1-[(1-ethylazepan-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxetan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-4-methyl-3-(methylamino)azepan-2-one;bis(1-[(1,1-dioxothian-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one);1-[(1-ethylazepan-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxetan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one is CCN1CCCCC(CN2CCCC(C)C(NC)C2=O)C1.CCN1CCCCCC1CN1CCCC(C)C(NC)C1=O.CNC1C(=O)N(CC2CCC2)CCCC1C.CNC1C(=O)N(CC2CCCC2)CCCC1C.CNC1C(=O)N(CC2CCCCC2)CCCC1C.CNC1C(=O)N(CC2CCCCCC2)CCCC1C.CNC1C(=O)N(CC2CCCCCO2)CCCC1C.CNC1C(=O)N(CC2CCCCCS2)CCCC1C.CNC1C(=O)N(CC2CCCCO2)CCCC1C.CNC1C(=O)N(CC2CCCCS2(=O)=O)CCCC1C.CNC1C(=O)N(CC2CCCCS2(=O)=O)CCCC1C.CNC1C(=O)N(CC2CCCO2)CCCC1C.CNC1C(=O)N(CC2CCO2)CCCC1C.CNC1C(=O)N(CC2CO2)CCCC1C.
What is the InChIKey of 1-(cyclobutylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-4-methyl-3-(methylamino)azepan-2-one;bis(1-[(1,1-dioxothian-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one);1-[(1-ethylazepan-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxetan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one?
The InChIKey is APFZTFRFWHMADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H33N3O.C16H30N2O.C15H28N2O2.C15H28N2OS.C15H28N2O.2C14H26N2O3S.C14H26N2O2.C14H26N2O.C13H24N2O2.C13H24N2O.C12H22N2O2.C11H20N2O2/c1-4-19-10-6-5-9-15(12-19)13-20-11-7-8-14(2)16(18-3)17(20)21;1-4-19-11-7-5-6-10-15(19)13-20-12-8-9-14(2)16(18-3)17(20)21;1-13-8-7-11-18(16(19)15(13)17-2)12-14-9-5-3-4-6-10-14;2*1-12-7-6-9-17(15(18)14(12)16-2)11-13-8-4-3-5-10-19-13;1-12-7-6-10-17(15(18)14(12)16-2)11-13-8-4-3-5-9-13;2*1-11-6-5-8-16(14(17)13(11)15-2)10-12-7-3-4-9-20(12,18)19;1-11-6-5-8-16(14(17)13(11)15-2)10-12-7-3-4-9-18-12;1-11-6-5-9-16(14(17)13(11)15-2)10-12-7-3-4-8-12;1-10-5-3-7-15(13(16)12(10)14-2)9-11-6-4-8-17-11;1-10-5-4-8-15(9-11-6-3-7-11)13(16)12(10)14-2;1-9-4-3-6-14(8-10-5-7-16-10)12(15)11(9)13-2;1-8-4-3-5-13(6-9-7-15-9)11(14)10(8)12-2/h2*14-16,18H,4-13H2,1-3H3;13-15,17H,3-12H2,1-2H3;2*12-14,16H,3-11H2,1-2H3;12-14,16H,3-11H2,1-2H3;2*11-13,15H,3-10H2,1-2H3;11-13,15H,3-10H2,1-2H3;11-13,15H,3-10H2,1-2H3;10-12,14H,3-9H2,1-2H3;10-12,14H,3-9H2,1-2H3;9-11,13H,3-8H2,1-2H3;8-10,12H,3-7H2,1-2H3.
What are the key properties of 1-(cyclobutylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-4-methyl-3-(methylamino)azepan-2-one;bis(1-[(1,1-dioxothian-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one);1-[(1-ethylazepan-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxetan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one?
1-(cyclobutylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-4-methyl-3-(methylamino)azepan-2-one;bis(1-[(1,1-dioxothian-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one);1-[(1-ethylazepan-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxetan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one has a molecular weight of 3663.58 g/mol, XLogP of 22.09, 44 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cycloheptylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclohexylmethyl)-4-methyl-3-(methylamino)azepan-2-one;1-(cyclopentylmethyl)-4-methyl-3-(methylamino)azepan-2-one;bis(1-[(1,1-dioxothian-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one);1-[(1-ethylazepan-2-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;1-[(1-ethylazepan-3-yl)methyl]-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(oxan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxepan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxetan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxiran-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(oxolan-2-ylmethyl)azepan-2-one;4-methyl-3-(methylamino)-1-(thiepan-2-ylmethyl)azepan-2-one is sourced from PubChem (CID 157187055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).