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

C139H185F3N16O17S — CID 167655186

About 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

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 (PubChem CID 167655186) has the molecular formula C139H185F3N16O17S and a molecular weight of 2441.16 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 167655186
• Molecular Formula: C139H185F3N16O17S
• Molecular Weight: 2441.16 g/mol
• Exact Mass: 2439.38
• IUPAC Name: 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
• SMILES: C#Cc1cccc(C(C)C)c1OC.COCCNC(=O)c1cccc(C(C)C)c1OC.COc1c(-c2ccc(C)nn2)cccc1C(C)C.COc1c(-c2ccn(CC(C)(C)O)n2)cccc1C(C)C.COc1c(-c2cnc(C)s2)cccc1C(C)C.COc1c(-c2ncnn2C)cccc1C(C)C.COc1c(-c2nnnn2C)cccc1C(C)C.COc1c(C(=O)NC2CC2)cccc1C(C)C.COc1c(C(=O)NCC(C)(C)O)cccc1C(C)C.COc1c(C(=O)NCC(F)(F)F)cccc1C(C)C
• InChI: InChI=1S/C17H24N2O2.C15H18N2O.C15H23NO3.C14H21NO3.C14H19NO2.C14H17NOS.C13H16F3NO2.C13H17N3O.C12H16N4O.C12H14O/c1-12(2)13-7-6-8-14(16(13)21-5)15-9-10-19(18-15)11-17(3,4)20;1-10(2)12-6-5-7-13(15(12)18-4)14-9-8-11(3)16-17-14;1-10(2)11-7-6-8-12(13(11)19-5)14(17)16-9-15(3,4)18;1-10(2)11-6-5-7-12(13(11)18-4)14(16)15-8-9-17-3;1-9(2)11-5-4-6-12(13(11)17-3)14(16)15-10-7-8-10;1-9(2)11-6-5-7-12(14(11)16-4)13-8-15-10(3)17-13;1-8(2)9-5-4-6-10(11(9)19-3)12(18)17-7-13(14,15)16;1-9(2)10-6-5-7-11(12(10)17-4)13-14-8-15-16(13)3;1-8(2)9-6-5-7-10(11(9)17-4)12-13-14-15-16(12)3;1-5-10-7-6-8-11(9(2)3)12(10)13-4/h6-10,12,20H,11H2,1-5H3;5-10H,1-4H3;6-8,10,18H,9H2,1-5H3,(H,16,17);5-7,10H,8-9H2,1-4H3,(H,15,16);4-6,9-10H,7-8H2,1-3H3,(H,15,16);5-9H,1-4H3;4-6,8H,7H2,1-3H3,(H,17,18);5-9H,1-4H3;5-8H,1-4H3;1,6-9H,2-4H3
• InChIKey: RDQKLUZMDQPCLG-UHFFFAOYSA-N
• XLogP: 29.05
• TPSA: 389.19 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 38
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2441.16
LogP ≤ 5	29.05
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C#Cc1cccc(C(C)C)c1OC.COCCNC(=O)c1cccc(C(C)C)c1OC.COc1c(-c2ccc(C)nn2)cccc1C(C)C.COc1c(-c2ccn(CC(C)(C)O)n2)cccc1C(C)C.COc1c(-c2cnc(C)s2)cccc1C(C)C.COc1c(-c2ncnn2C)cccc1C(C)C.COc1c(-c2nnnn2C)cccc1C(C)C.COc1c(C(=O)NC2CC2)cccc1C(C)C.COc1c(C(=O)NCC(C)(C)O)cccc1C(C)C.COc1c(C(=O)NCC(F)(F)F)cccc1C(C)C.

What is the InChIKey of 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?

The InChIKey is RDQKLUZMDQPCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.C15H18N2O.C15H23NO3.C14H21NO3.C14H19NO2.C14H17NOS.C13H16F3NO2.C13H17N3O.C12H16N4O.C12H14O/c1-12(2)13-7-6-8-14(16(13)21-5)15-9-10-19(18-15)11-17(3,4)20;1-10(2)12-6-5-7-13(15(12)18-4)14-9-8-11(3)16-17-14;1-10(2)11-7-6-8-12(13(11)19-5)14(17)16-9-15(3,4)18;1-10(2)11-6-5-7-12(13(11)18-4)14(16)15-8-9-17-3;1-9(2)11-5-4-6-12(13(11)17-3)14(16)15-10-7-8-10;1-9(2)11-6-5-7-12(14(11)16-4)13-8-15-10(3)17-13;1-8(2)9-5-4-6-10(11(9)19-3)12(18)17-7-13(14,15)16;1-9(2)10-6-5-7-11(12(10)17-4)13-14-8-15-16(13)3;1-8(2)9-6-5-7-10(11(9)17-4)12-13-14-15-16(12)3;1-5-10-7-6-8-11(9(2)3)12(10)13-4/h6-10,12,20H,11H2,1-5H3;5-10H,1-4H3;6-8,10,18H,9H2,1-5H3,(H,16,17);5-7,10H,8-9H2,1-4H3,(H,15,16);4-6,9-10H,7-8H2,1-3H3,(H,15,16);5-9H,1-4H3;4-6,8H,7H2,1-3H3,(H,17,18);5-9H,1-4H3;5-8H,1-4H3;1,6-9H,2-4H3.

What are the key properties of 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?

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 has a molecular weight of 2441.16 g/mol, XLogP of 29.05, 38 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 167655186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).