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

C22H26N4O4 — CID 14003377

IUPAC2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCc1ccccc1OCC(O)CNCC(=O)Nc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C22H26N4O4/c1-15-4-2-3-5-20(15)30-14-18(27)12-23-13-22(29)24-17-8-6-16(7-9-17)19-10-11-21(28)26-25-19/h2-9,18,23,27H,10-14H2,1H3,(H,24,29)(H,26,28)
InChIKeyKJAFXLQRNJFMPJ-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.58
Rot. Bonds9

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

2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide (PubChem CID 14003377) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
PubChem CID14003377
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCc1ccccc1OCC(O)CNCC(=O)Nc1ccc(C2=NNC(=O)CC2)cc1
InChIInChI=1S/C22H26N4O4/c1-15-4-2-3-5-20(15)30-14-18(27)12-23-13-22(29)24-17-8-6-16(7-9-17)19-10-11-21(28)26-25-19/h2-9,18,23,27H,10-14H2,1H3,(H,24,29)(H,26,28)
InChIKeyKJAFXLQRNJFMPJ-UHFFFAOYSA-N
XLogP1.58
TPSA112.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide (CID 14003377) is 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide is Cc1ccccc1OCC(O)CNCC(=O)Nc1ccc(C2=NNC(=O)CC2)cc1.
What is the InChIKey of 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The InChIKey is KJAFXLQRNJFMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-15-4-2-3-5-20(15)30-14-18(27)12-23-13-22(29)24-17-8-6-16(7-9-17)19-10-11-21(28)26-25-19/h2-9,18,23,27H,10-14H2,1H3,(H,24,29)(H,26,28).
What are the key properties of 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide has a molecular weight of 410.47 g/mol, XLogP of 1.58, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 14003377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).