1-(furan-2-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one

C123H184N28O12S2 — CID 159374822

IUPAC1-(furan-2-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
SMILESCNC1C(=O)N(c2ccc[nH]2)CCCC1C.CNC1C(=O)N(c2ccccc2)CCCC1C.CNC1C(=O)N(c2ccccn2)CCCC1C.CNC1C(=O)N(c2cccnc2)CCCC1C.CNC1C(=O)N(c2cccnn2)CCCC1C.CNC1C(=O)N(c2ccco2)CCCC1C.CNC1C(=O)N(c2cccs2)CCCC1C.CNC1C(=O)N(c2ccncc2)CCCC1C.CNC1C(=O)N(c2ncco2)CCCC1C.CNC1C(=O)N(c2nccs2)CCCC1C
InChIInChI=1S/C14H20N2O.3C13H19N3O.C12H18N4O.C12H19N3O.C12H18N2O2.C12H18N2OS.C11H17N3O2.C11H17N3OS/c1-11-7-6-10-16(14(17)13(11)15-2)12-8-4-3-5-9-12;1-10-5-4-8-16(13(17)12(10)14-2)11-6-3-7-15-9-11;1-10-4-3-9-16(13(17)12(10)14-2)11-5-7-15-8-6-11;1-10-6-5-9-16(13(17)12(10)14-2)11-7-3-4-8-15-11;1-9-5-4-8-16(12(17)11(9)13-2)10-6-3-7-14-15-10;1-9-5-4-8-15(10-6-3-7-14-10)12(16)11(9)13-2;2*1-9-5-3-7-14(10-6-4-8-16-10)12(15)11(9)13-2;2*1-8-4-3-6-14(10(15)9(8)12-2)11-13-5-7-16-11/h3-5,8-9,11,13,15H,6-7,10H2,1-2H3;3,6-7,9-10,12,14H,4-5,8H2,1-2H3;5-8,10,12,14H,3-4,9H2,1-2H3;3-4,7-8,10,12,14H,5-6,9H2,1-2H3;3,6-7,9,11,13H,4-5,8H2,1-2H3;3,6-7,9,11,13-14H,4-5,8H2,1-2H3;2*4,6,8-9,11,13H,3,5,7H2,1-2H3;2*5,7-9,12H,3-4,6H2,1-2H3
InChIKeyLKEHORDHIFLMNN-UHFFFAOYSA-N
MW2311.14 g/mol
LogP14.78
Rot. Bonds20

About 1-(furan-2-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one

1-(furan-2-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one (PubChem CID 159374822) has the molecular formula C123H184N28O12S2 and a molecular weight of 2311.14 g/mol. Its IUPAC name is 1-(furan-2-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one.

Molecular Properties

Compound Name1-(furan-2-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
PubChem CID159374822
Molecular FormulaC123H184N28O12S2
Molecular Weight2311.14 g/mol
Exact Mass2309.41
IUPAC Name1-(furan-2-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one
SMILESCNC1C(=O)N(c2ccc[nH]2)CCCC1C.CNC1C(=O)N(c2ccccc2)CCCC1C.CNC1C(=O)N(c2ccccn2)CCCC1C.CNC1C(=O)N(c2cccnc2)CCCC1C.CNC1C(=O)N(c2cccnn2)CCCC1C.CNC1C(=O)N(c2ccco2)CCCC1C.CNC1C(=O)N(c2cccs2)CCCC1C.CNC1C(=O)N(c2ccncc2)CCCC1C.CNC1C(=O)N(c2ncco2)CCCC1C.CNC1C(=O)N(c2nccs2)CCCC1C
InChIInChI=1S/C14H20N2O.3C13H19N3O.C12H18N4O.C12H19N3O.C12H18N2O2.C12H18N2OS.C11H17N3O2.C11H17N3OS/c1-11-7-6-10-16(14(17)13(11)15-2)12-8-4-3-5-9-12;1-10-5-4-8-16(13(17)12(10)14-2)11-6-3-7-15-9-11;1-10-4-3-9-16(13(17)12(10)14-2)11-5-7-15-8-6-11;1-10-6-5-9-16(13(17)12(10)14-2)11-7-3-4-8-15-11;1-9-5-4-8-16(12(17)11(9)13-2)10-6-3-7-14-15-10;1-9-5-4-8-15(10-6-3-7-14-10)12(16)11(9)13-2;2*1-9-5-3-7-14(10-6-4-8-16-10)12(15)11(9)13-2;2*1-8-4-3-6-14(10(15)9(8)12-2)11-13-5-7-16-11/h3-5,8-9,11,13,15H,6-7,10H2,1-2H3;3,6-7,9-10,12,14H,4-5,8H2,1-2H3;5-8,10,12,14H,3-4,9H2,1-2H3;3-4,7-8,10,12,14H,5-6,9H2,1-2H3;3,6-7,9,11,13H,4-5,8H2,1-2H3;3,6-7,9,11,13-14H,4-5,8H2,1-2H3;2*4,6,8-9,11,13H,3,5,7H2,1-2H3;2*5,7-9,12H,3-4,6H2,1-2H3
InChIKeyLKEHORDHIFLMNN-UHFFFAOYSA-N
XLogP14.78
TPSA455.70 Ų
H-Bond Donors11
H-Bond Acceptors31
Rotatable Bonds20
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002311.14
LogP ≤ 514.78
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1031

Analyze 1-(furan-2-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one?
The IUPAC name of 1-(furan-2-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one (CID 159374822) is 1-(furan-2-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one.
What is the SMILES notation for 1-(furan-2-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one?
The canonical SMILES for 1-(furan-2-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one is CNC1C(=O)N(c2ccc[nH]2)CCCC1C.CNC1C(=O)N(c2ccccc2)CCCC1C.CNC1C(=O)N(c2ccccn2)CCCC1C.CNC1C(=O)N(c2cccnc2)CCCC1C.CNC1C(=O)N(c2cccnn2)CCCC1C.CNC1C(=O)N(c2ccco2)CCCC1C.CNC1C(=O)N(c2cccs2)CCCC1C.CNC1C(=O)N(c2ccncc2)CCCC1C.CNC1C(=O)N(c2ncco2)CCCC1C.CNC1C(=O)N(c2nccs2)CCCC1C.
What is the InChIKey of 1-(furan-2-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one?
The InChIKey is LKEHORDHIFLMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.3C13H19N3O.C12H18N4O.C12H19N3O.C12H18N2O2.C12H18N2OS.C11H17N3O2.C11H17N3OS/c1-11-7-6-10-16(14(17)13(11)15-2)12-8-4-3-5-9-12;1-10-5-4-8-16(13(17)12(10)14-2)11-6-3-7-15-9-11;1-10-4-3-9-16(13(17)12(10)14-2)11-5-7-15-8-6-11;1-10-6-5-9-16(13(17)12(10)14-2)11-7-3-4-8-15-11;1-9-5-4-8-16(12(17)11(9)13-2)10-6-3-7-14-15-10;1-9-5-4-8-15(10-6-3-7-14-10)12(16)11(9)13-2;2*1-9-5-3-7-14(10-6-4-8-16-10)12(15)11(9)13-2;2*1-8-4-3-6-14(10(15)9(8)12-2)11-13-5-7-16-11/h3-5,8-9,11,13,15H,6-7,10H2,1-2H3;3,6-7,9-10,12,14H,4-5,8H2,1-2H3;5-8,10,12,14H,3-4,9H2,1-2H3;3-4,7-8,10,12,14H,5-6,9H2,1-2H3;3,6-7,9,11,13H,4-5,8H2,1-2H3;3,6-7,9,11,13-14H,4-5,8H2,1-2H3;2*4,6,8-9,11,13H,3,5,7H2,1-2H3;2*5,7-9,12H,3-4,6H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one?
1-(furan-2-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one has a molecular weight of 2311.14 g/mol, XLogP of 14.78, 20 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-4-methyl-3-(methylamino)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-oxazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-phenylazepan-2-one;4-methyl-3-(methylamino)-1-pyridazin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-2-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-3-ylazepan-2-one;4-methyl-3-(methylamino)-1-pyridin-4-ylazepan-2-one;4-methyl-3-(methylamino)-1-(1H-pyrrol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-(1,3-thiazol-2-yl)azepan-2-one;4-methyl-3-(methylamino)-1-thiophen-2-ylazepan-2-one is sourced from PubChem (CID 159374822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).