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

C23H28N4O5 — CID 14003383

IUPAC2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCOc1ccccc1OCC(O)CNCC(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1
InChIInChI=1S/C23H28N4O5/c1-15-11-21(29)26-27-23(15)16-7-9-17(10-8-16)25-22(30)13-24-12-18(28)14-32-20-6-4-3-5-19(20)31-2/h3-10,15,18,24,28H,11-14H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyLXDCNDLUKHSICP-UHFFFAOYSA-N
MW440.50 g/mol
LogP1.52
Rot. Bonds10

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

2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide (PubChem CID 14003383) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
PubChem CID14003383
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCOc1ccccc1OCC(O)CNCC(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1
InChIInChI=1S/C23H28N4O5/c1-15-11-21(29)26-27-23(15)16-7-9-17(10-8-16)25-22(30)13-24-12-18(28)14-32-20-6-4-3-5-19(20)31-2/h3-10,15,18,24,28H,11-14H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyLXDCNDLUKHSICP-UHFFFAOYSA-N
XLogP1.52
TPSA121.28 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide (CID 14003383) is 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide is COc1ccccc1OCC(O)CNCC(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1.
What is the InChIKey of 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The InChIKey is LXDCNDLUKHSICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-15-11-21(29)26-27-23(15)16-7-9-17(10-8-16)25-22(30)13-24-12-18(28)14-32-20-6-4-3-5-19(20)31-2/h3-10,15,18,24,28H,11-14H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide has a molecular weight of 440.50 g/mol, XLogP of 1.52, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 14003383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).