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

C23H28N4O4 — CID 14003389

IUPAC3-[(2-hydroxy-3-phenoxypropyl)amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)CCNCC(O)COc2ccccc2)cc1
InChIInChI=1S/C23H28N4O4/c1-16-13-22(30)26-27-23(16)17-7-9-18(10-8-17)25-21(29)11-12-24-14-19(28)15-31-20-5-3-2-4-6-20/h2-10,16,19,24,28H,11-15H2,1H3,(H,25,29)(H,26,30)
InChIKeyAKJYIRNVXALMTB-UHFFFAOYSA-N
MW424.50 g/mol
LogP1.90
Rot. Bonds10

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

3-[(2-hydroxy-3-phenoxypropyl)amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide (PubChem CID 14003389) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-phenoxypropyl)amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(2-hydroxy-3-phenoxypropyl)amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
PubChem CID14003389
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name3-[(2-hydroxy-3-phenoxypropyl)amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)CCNCC(O)COc2ccccc2)cc1
InChIInChI=1S/C23H28N4O4/c1-16-13-22(30)26-27-23(16)17-7-9-18(10-8-17)25-21(29)11-12-24-14-19(28)15-31-20-5-3-2-4-6-20/h2-10,16,19,24,28H,11-15H2,1H3,(H,25,29)(H,26,30)
InChIKeyAKJYIRNVXALMTB-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-[[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
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
phenyl 4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-4-oxobutanoate
CID 45034728
3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 14003391
4-amino-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide
CID 19854552
N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-pyridin-3-yloxyacetamide
CID 21249165
3-[4-[[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-2-methylpropyl]amino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 10814388
(E)-but-2-enedioic acid;bis(3-[[3-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-2-hydroxy-4-phenylbutyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide)
CID 131715086
3-[4-[2-[[3-(2-chloro-5-methylphenoxy)-2-hydroxypropyl]amino]ethylamino]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 10741960
3-[3-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethoxy]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
CID 15107830
N-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropyl]-2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetamide
CID 15016333

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-phenoxypropyl)amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?
The IUPAC name of 3-[(2-hydroxy-3-phenoxypropyl)amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide (CID 14003389) is 3-[(2-hydroxy-3-phenoxypropyl)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-phenoxypropyl)amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?
The canonical SMILES for 3-[(2-hydroxy-3-phenoxypropyl)amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide is CC1CC(=O)NN=C1c1ccc(NC(=O)CCNCC(O)COc2ccccc2)cc1.
What is the InChIKey of 3-[(2-hydroxy-3-phenoxypropyl)amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?
The InChIKey is AKJYIRNVXALMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-16-13-22(30)26-27-23(16)17-7-9-18(10-8-17)25-21(29)11-12-24-14-19(28)15-31-20-5-3-2-4-6-20/h2-10,16,19,24,28H,11-15H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 3-[(2-hydroxy-3-phenoxypropyl)amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide?
3-[(2-hydroxy-3-phenoxypropyl)amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide has a molecular weight of 424.50 g/mol, XLogP of 1.90, 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-phenoxypropyl)amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 14003389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).