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

C23H28N4O4 — CID 14003391

IUPAC3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
SMILESCc1ccccc1OCC(O)CNCCC(=O)Nc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C23H28N4O4/c1-16-4-2-3-5-21(16)31-15-19(28)14-24-13-12-22(29)25-18-8-6-17(7-9-18)20-10-11-23(30)27-26-20/h2-9,19,24,28H,10-15H2,1H3,(H,25,29)(H,27,30)
InChIKeyOXELCRMCQRAYSY-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.97
Rot. Bonds10

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

3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide (PubChem CID 14003391) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
PubChem CID14003391
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
SMILESCc1ccccc1OCC(O)CNCCC(=O)Nc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C23H28N4O4/c1-16-4-2-3-5-21(16)31-15-19(28)14-24-13-12-22(29)25-18-8-6-17(7-9-18)20-10-11-23(30)27-26-20/h2-9,19,24,28H,10-15H2,1H3,(H,25,29)(H,27,30)
InChIKeyOXELCRMCQRAYSY-UHFFFAOYSA-N
XLogP1.97
TPSA112.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
CID 14003379
3-[[2-hydroxy-3-(2-methylsulfonylphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide;hydrochloride
CID 14003404
3-[(2-hydroxy-3-phenoxypropyl)amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 14003389
3-[(2-hydroxy-3-phenoxypropyl)amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide;hydrobromide
CID 14003390
3-[4-[[2-[[3-(5-ethyl-2-methylphenoxy)-2-hydroxypropyl]amino]-2-methylpropyl]amino]phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 19755320
3-[4-[[2-[[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropyl]amino]phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 139800033
3-[4-[[2-[[(2S)-3-(2-chloro-3-nitrophenoxy)-2-hydroxypropyl]amino]-2-methylpropyl]amino]phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 57258140
3-[4-[[2-[[3-(5-bromo-2-ethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropyl]amino]phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 19755311
3-[4-[2-[[3-(3-anilinophenoxy)-2-hydroxypropyl]amino]ethoxy]-3-(1λ3-iodacyclopropen-2-yl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 143236974
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
CID 83121216
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
2-methoxyethyl N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
CID 12805018

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(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-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide (CID 14003391) is 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(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-(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-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide is Cc1ccccc1OCC(O)CNCCC(=O)Nc1ccc(C2=NNC(=O)CC2)cc1.
What is the InChIKey of 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?
The InChIKey is OXELCRMCQRAYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-16-4-2-3-5-21(16)31-15-19(28)14-24-13-12-22(29)25-18-8-6-17(7-9-18)20-10-11-23(30)27-26-20/h2-9,19,24,28H,10-15H2,1H3,(H,25,29)(H,27,30).
What are the key properties of 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?
3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide has a molecular weight of 424.50 g/mol, XLogP of 1.97, 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-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 14003391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).