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

C24H30N4O5 — CID 14003397

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

3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide (PubChem CID 14003397) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(2-methoxyphenoxy)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-methoxyphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
• PubChem CID: 14003397
• Molecular Formula: C24H30N4O5
• Molecular Weight: 454.53 g/mol
• Exact Mass: 454.22
• IUPAC Name: 3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
• SMILES: COc1ccccc1OCC(O)CNCCC(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1
• InChI: InChI=1S/C24H30N4O5/c1-16-13-23(31)27-28-24(16)17-7-9-18(10-8-17)26-22(30)11-12-25-14-19(29)15-33-21-6-4-3-5-20(21)32-2/h3-10,16,19,25,29H,11-15H2,1-2H3,(H,26,30)(H,27,31)
• InChIKey: WORIMAVEOZDMHV-UHFFFAOYSA-N
• XLogP: 1.91
• TPSA: 121.28 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.53
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

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-methoxyphenoxy)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-methoxyphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide (CID 14003397) is 3-[[2-hydroxy-3-(2-methoxyphenoxy)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-methoxyphenoxy)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-methoxyphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide is COc1ccccc1OCC(O)CNCCC(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1.

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

The InChIKey is WORIMAVEOZDMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5/c1-16-13-23(31)27-28-24(16)17-7-9-18(10-8-17)26-22(30)11-12-25-14-19(29)15-33-21-6-4-3-5-20(21)32-2/h3-10,16,19,25,29H,11-15H2,1-2H3,(H,26,30)(H,27,31).

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

3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide has a molecular weight of 454.53 g/mol, XLogP of 1.91, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 14003397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).