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

C90H117N9O13S — CID 157272933

About 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

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 (PubChem CID 157272933) has the molecular formula C90H117N9O13S and a molecular weight of 1565.04 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157272933
• Molecular Formula: C90H117N9O13S
• Molecular Weight: 1565.04 g/mol
• Exact Mass: 1563.85
• IUPAC Name: 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
• SMILES: CCCCCCNC(=O)c1cccc(C)c1OC.COCCNC(=O)c1cccc(C)c1OC.COc1c(C)cccc1-c1ccc(C)nn1.COc1c(C)cccc1-c1ccnn1C.COc1c(C)cccc1-c1sc(C)nc1C.COc1c(C)cccc1C(=O)NC1CC1.COc1c(C)cccc1C(=O)NCC(C)(C)O
• InChI: InChI=1S/C15H23NO2.C13H14N2O.C13H19NO3.C13H15NOS.C12H14N2O.C12H17NO3.C12H15NO2/c1-4-5-6-7-11-16-15(17)13-10-8-9-12(2)14(13)18-3;1-9-5-4-6-11(13(9)16-3)12-8-7-10(2)14-15-12;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;1-8-4-3-5-10(11(8)15-2)12(14)13-9-6-7-9/h8-10H,4-7,11H2,1-3H3,(H,16,17);4-8H,1-3H3;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);3-5,9H,6-7H2,1-2H3,(H,13,14)
• InChIKey: AYTDHZGOCXKUHP-UHFFFAOYSA-N
• XLogP: 17.01
• TPSA: 266.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 25
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1565.04
LogP ≤ 5	17.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCCCCCNC(=O)c1cccc(C)c1OC.COCCNC(=O)c1cccc(C)c1OC.COc1c(C)cccc1-c1ccc(C)nn1.COc1c(C)cccc1-c1ccnn1C.COc1c(C)cccc1-c1sc(C)nc1C.COc1c(C)cccc1C(=O)NC1CC1.COc1c(C)cccc1C(=O)NCC(C)(C)O.

What is the InChIKey of 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?

The InChIKey is AYTDHZGOCXKUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2.C13H14N2O.C13H19NO3.C13H15NOS.C12H14N2O.C12H17NO3.C12H15NO2/c1-4-5-6-7-11-16-15(17)13-10-8-9-12(2)14(13)18-3;1-9-5-4-6-11(13(9)16-3)12-8-7-10(2)14-15-12;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;1-8-4-3-5-10(11(8)15-2)12(14)13-9-6-7-9/h8-10H,4-7,11H2,1-3H3,(H,16,17);4-8H,1-3H3;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);3-5,9H,6-7H2,1-2H3,(H,13,14).

What are the key properties of 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?

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 has a molecular weight of 1565.04 g/mol, XLogP of 17.01, 25 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157272933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).