3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide

C24H30N4O4 — CID 14003393

About 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide

3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide (PubChem CID 14003393) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
• PubChem CID: 14003393
• Molecular Formula: C24H30N4O4
• Molecular Weight: 438.53 g/mol
• Exact Mass: 438.23
• IUPAC Name: 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
• SMILES: Cc1ccccc1OCC(O)CNCCC(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1
• InChI: InChI=1S/C24H30N4O4/c1-16-5-3-4-6-21(16)32-15-20(29)14-25-12-11-22(30)26-19-9-7-18(8-10-19)24-17(2)13-23(31)27-28-24/h3-10,17,20,25,29H,11-15H2,1-2H3,(H,26,30)(H,27,31)
• InChIKey: MKSAJBJQAOHVDL-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 112.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.53
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?

The IUPAC name of 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide (CID 14003393) is 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide.

What is the SMILES notation for 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?

The canonical SMILES for 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide is Cc1ccccc1OCC(O)CNCCC(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1.

What is the InChIKey of 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?

The InChIKey is MKSAJBJQAOHVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-16-5-3-4-6-21(16)32-15-20(29)14-25-12-11-22(30)26-19-9-7-18(8-10-19)24-17(2)13-23(31)27-28-24/h3-10,17,20,25,29H,11-15H2,1-2H3,(H,26,30)(H,27,31).

What are the key properties of 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?

3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide has a molecular weight of 438.53 g/mol, XLogP of 2.21, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 14003393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).