N-cyclopropyl-2-methoxy-3-methylbenzamide;bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole

C107H138F4N10O19S — CID 162093554

IUPACN-cyclopropyl-2-methoxy-3-methylbenzamide;bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole
SMILESCCCCCCNC(=O)c1cccc(C)c1OC.COCCNC(=O)c1cccc(C)c1OC.COc1c(C)cccc1-c1ccnn1C.COc1c(C)cccc1-c1sc(C)nc1C.COc1c(C)cccc1C(=O)NC1CC1.COc1c(C)cccc1C(=O)NCC(C)(C)O.COc1c(C)cccc1C(=O)NCCCO.Cc1cccc(C(N)=O)c1OC(F)F.Cc1cccc(C(N)=O)c1OC(F)F
InChIInChI=1S/C15H23NO2.C13H19NO3.C13H15NOS.C12H14N2O.2C12H17NO3.C12H15NO2.2C9H9F2NO2/c1-4-5-6-7-11-16-15(17)13-10-8-9-12(2)14(13)18-3;1-9-6-5-7-10(11(9)17-4)12(15)14-8-13(2,3)16;1-8-6-5-7-11(12(8)15-4)13-9(2)14-10(3)16-13;1-9-5-4-6-10(12(9)15-3)11-7-8-13-14(11)2;1-9-5-4-6-10(11(9)16-3)12(14)13-7-8-15-2;1-9-5-3-6-10(11(9)16-2)12(15)13-7-4-8-14;1-8-4-3-5-10(11(8)15-2)12(14)13-9-6-7-9;2*1-5-3-2-4-6(8(12)13)7(5)14-9(10)11/h8-10H,4-7,11H2,1-3H3,(H,16,17);5-7,16H,8H2,1-4H3,(H,14,15);5-7H,1-4H3;4-8H,1-3H3;4-6H,7-8H2,1-3H3,(H,13,14);3,5-6,14H,4,7-8H2,1-2H3,(H,13,15);3-5,9H,6-7H2,1-2H3,(H,13,14);2*2-4,9H,1H3,(H2,12,13)
InChIKeyZDYBGAUESPYTEC-UHFFFAOYSA-N
MW1976.39 g/mol
LogP18.75
Rot. Bonds34

About N-cyclopropyl-2-methoxy-3-methylbenzamide;bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole

N-cyclopropyl-2-methoxy-3-methylbenzamide;bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole (PubChem CID 162093554) has the molecular formula C107H138F4N10O19S and a molecular weight of 1976.39 g/mol. Its IUPAC name is N-cyclopropyl-2-methoxy-3-methylbenzamide;bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole.

Molecular Properties

Compound NameN-cyclopropyl-2-methoxy-3-methylbenzamide;bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole
PubChem CID162093554
Molecular FormulaC107H138F4N10O19S
Molecular Weight1976.39 g/mol
Exact Mass1974.98
IUPAC NameN-cyclopropyl-2-methoxy-3-methylbenzamide;bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole
SMILESCCCCCCNC(=O)c1cccc(C)c1OC.COCCNC(=O)c1cccc(C)c1OC.COc1c(C)cccc1-c1ccnn1C.COc1c(C)cccc1-c1sc(C)nc1C.COc1c(C)cccc1C(=O)NC1CC1.COc1c(C)cccc1C(=O)NCC(C)(C)O.COc1c(C)cccc1C(=O)NCCCO.Cc1cccc(C(N)=O)c1OC(F)F.Cc1cccc(C(N)=O)c1OC(F)F
InChIInChI=1S/C15H23NO2.C13H19NO3.C13H15NOS.C12H14N2O.2C12H17NO3.C12H15NO2.2C9H9F2NO2/c1-4-5-6-7-11-16-15(17)13-10-8-9-12(2)14(13)18-3;1-9-6-5-7-10(11(9)17-4)12(15)14-8-13(2,3)16;1-8-6-5-7-11(12(8)15-4)13-9(2)14-10(3)16-13;1-9-5-4-6-10(12(9)15-3)11-7-8-13-14(11)2;1-9-5-4-6-10(11(9)16-3)12(14)13-7-8-15-2;1-9-5-3-6-10(11(9)16-2)12(15)13-7-4-8-14;1-8-4-3-5-10(11(8)15-2)12(14)13-9-6-7-9;2*1-5-3-2-4-6(8(12)13)7(5)14-9(10)11/h8-10H,4-7,11H2,1-3H3,(H,16,17);5-7,16H,8H2,1-4H3,(H,14,15);5-7H,1-4H3;4-8H,1-3H3;4-6H,7-8H2,1-3H3,(H,13,14);3,5-6,14H,4,7-8H2,1-2H3,(H,13,15);3-5,9H,6-7H2,1-2H3,(H,13,14);2*2-4,9H,1H3,(H2,12,13)
InChIKeyZDYBGAUESPYTEC-UHFFFAOYSA-N
XLogP18.75
TPSA395.15 Ų
H-Bond Donors9
H-Bond Acceptors23
Rotatable Bonds34
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001976.39
LogP ≤ 518.75
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-cyclopropyl-2-methoxy-3-methylbenzamide;bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole with MolForge

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Related Compounds

N-cyclopropyl-2-methoxy-3-propan-2-ylbenzamide;1-ethynyl-2-methoxy-3-propan-2-ylbenzene;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-propan-2-ylbenzamide;2-methoxy-N-(2-methoxyethyl)-3-propan-2-ylbenzamide;3-(2-methoxy-3-propan-2-ylphenyl)-6-methylpyridazine;5-(2-methoxy-3-propan-2-ylphenyl)-1-methyltetrazole;5-(2-methoxy-3-propan-2-ylphenyl)-2-methyl-1,3-thiazole;5-(2-methoxy-3-propan-2-ylphenyl)-1-methyl-1,2,4-triazole;1-[3-(2-methoxy-3-propan-2-ylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol;2-methoxy-3-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 167655186
N-cyclopropyl-2-methoxy-3-methylbenzamide;N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine
CID 157272933
bis(2-(difluoromethoxy)-3-methylbenzamide);N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole
CID 160403344
N-cyclopropyl-2-methoxy-3-methylbenzamide;bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole
CID 160739974
N-cyclopropyl-2-methoxy-3-methylbenzamide;bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;methane;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole
CID 160950645
bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;1-methoxy-2-methylbenzene;5-(2-methoxy-3-methylphenyl)-3-methyl-1,2-oxazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-methylphenyl)-5-methyl-1,3-thiazole
CID 161464611
N-cyclopropyl-2-methoxy-3-methylbenzamide;bis(2-(difluoromethoxy)-3-methylbenzamide);1-ethynyl-2-methoxy-3-methylbenzene;N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole;3-(2-methoxy-3-methylphenyl)-6-methylpyridazine;5-(2-methoxy-3-methylphenyl)-1-methyltetrazole;5-(2-methoxy-3-methylphenyl)-1-methyl-1,2,4-triazole;1-[3-(2-methoxy-3-methylphenyl)pyrazol-1-yl]-2-methylpropan-2-ol
CID 161723199
bis(2-(difluoromethoxy)-3-propan-2-ylbenzamide);N-hexyl-2-methoxy-3-propan-2-ylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-propan-2-ylbenzamide;1-methoxy-2-propan-2-ylbenzene;5-(2-methoxy-3-propan-2-ylphenyl)-3-methyl-1,2-oxazole;5-(2-methoxy-3-propan-2-ylphenyl)-1-methylpyrazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3,4-thiadiazole;2-(2-methoxy-3-propan-2-ylphenyl)-5-methyl-1,3-thiazole
CID 167557864

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methoxy-3-methylbenzamide;bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole?
The IUPAC name of N-cyclopropyl-2-methoxy-3-methylbenzamide;bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole (CID 162093554) is N-cyclopropyl-2-methoxy-3-methylbenzamide;bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole.
What is the SMILES notation for N-cyclopropyl-2-methoxy-3-methylbenzamide;bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole?
The canonical SMILES for N-cyclopropyl-2-methoxy-3-methylbenzamide;bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole is CCCCCCNC(=O)c1cccc(C)c1OC.COCCNC(=O)c1cccc(C)c1OC.COc1c(C)cccc1-c1ccnn1C.COc1c(C)cccc1-c1sc(C)nc1C.COc1c(C)cccc1C(=O)NC1CC1.COc1c(C)cccc1C(=O)NCC(C)(C)O.COc1c(C)cccc1C(=O)NCCCO.Cc1cccc(C(N)=O)c1OC(F)F.Cc1cccc(C(N)=O)c1OC(F)F.
What is the InChIKey of N-cyclopropyl-2-methoxy-3-methylbenzamide;bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole?
The InChIKey is ZDYBGAUESPYTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2.C13H19NO3.C13H15NOS.C12H14N2O.2C12H17NO3.C12H15NO2.2C9H9F2NO2/c1-4-5-6-7-11-16-15(17)13-10-8-9-12(2)14(13)18-3;1-9-6-5-7-10(11(9)17-4)12(15)14-8-13(2,3)16;1-8-6-5-7-11(12(8)15-4)13-9(2)14-10(3)16-13;1-9-5-4-6-10(12(9)15-3)11-7-8-13-14(11)2;1-9-5-4-6-10(11(9)16-3)12(14)13-7-8-15-2;1-9-5-3-6-10(11(9)16-2)12(15)13-7-4-8-14;1-8-4-3-5-10(11(8)15-2)12(14)13-9-6-7-9;2*1-5-3-2-4-6(8(12)13)7(5)14-9(10)11/h8-10H,4-7,11H2,1-3H3,(H,16,17);5-7,16H,8H2,1-4H3,(H,14,15);5-7H,1-4H3;4-8H,1-3H3;4-6H,7-8H2,1-3H3,(H,13,14);3,5-6,14H,4,7-8H2,1-2H3,(H,13,15);3-5,9H,6-7H2,1-2H3,(H,13,14);2*2-4,9H,1H3,(H2,12,13).
What are the key properties of N-cyclopropyl-2-methoxy-3-methylbenzamide;bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole?
N-cyclopropyl-2-methoxy-3-methylbenzamide;bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole has a molecular weight of 1976.39 g/mol, XLogP of 18.75, 34 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methoxy-3-methylbenzamide;bis(2-(difluoromethoxy)-3-methylbenzamide);N-hexyl-2-methoxy-3-methylbenzamide;N-(2-hydroxy-2-methylpropyl)-2-methoxy-3-methylbenzamide;N-(3-hydroxypropyl)-2-methoxy-3-methylbenzamide;2-methoxy-N-(2-methoxyethyl)-3-methylbenzamide;5-(2-methoxy-3-methylphenyl)-2,4-dimethyl-1,3-thiazole;5-(2-methoxy-3-methylphenyl)-1-methylpyrazole is sourced from PubChem (CID 162093554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).