N-(6-hydrazinylpyridazin-3-yl)oxy-N-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]acetamide

C18H26N6O4 — CID 88659865

IUPACN-(6-hydrazinylpyridazin-3-yl)oxy-N-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]acetamide
SMILESCC(=O)N(CCNCC(O)COc1ccccc1C)Oc1ccc(NN)nn1
InChIInChI=1S/C18H26N6O4/c1-13-5-3-4-6-16(13)27-12-15(26)11-20-9-10-24(14(2)25)28-18-8-7-17(21-19)22-23-18/h3-8,15,20,26H,9-12,19H2,1-2H3,(H,21,22)
InChIKeyIGRZPTXRTIOSIC-UHFFFAOYSA-N
MW390.44 g/mol
LogP0.24
Rot. Bonds11

About N-(6-hydrazinylpyridazin-3-yl)oxy-N-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]acetamide

N-(6-hydrazinylpyridazin-3-yl)oxy-N-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]acetamide (PubChem CID 88659865) has the molecular formula C18H26N6O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(6-hydrazinylpyridazin-3-yl)oxy-N-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-(6-hydrazinylpyridazin-3-yl)oxy-N-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]acetamide
PubChem CID88659865
Molecular FormulaC18H26N6O4
Molecular Weight390.44 g/mol
Exact Mass390.20
IUPAC NameN-(6-hydrazinylpyridazin-3-yl)oxy-N-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]acetamide
SMILESCC(=O)N(CCNCC(O)COc1ccccc1C)Oc1ccc(NN)nn1
InChIInChI=1S/C18H26N6O4/c1-13-5-3-4-6-16(13)27-12-15(26)11-20-9-10-24(14(2)25)28-18-8-7-17(21-19)22-23-18/h3-8,15,20,26H,9-12,19H2,1-2H3,(H,21,22)
InChIKeyIGRZPTXRTIOSIC-UHFFFAOYSA-N
XLogP0.24
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(6-hydrazinylpyridazin-3-yl)oxy-N-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]acetamide with MolForge

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Related Compounds

N-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethyl]-N-(6-hydrazinylpyridazin-3-yl)oxyacetamide
CID 88659484
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
CID 83121216
1-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-(2-methylphenoxy)propan-2-ol
CID 62843457
1-(3-aminopropylamino)-3-(2-methylphenoxy)propan-2-ol
CID 62273853
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-2-methylbenzamide
CID 84562345
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-(4-methylpentylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60745192
1-(2-methylphenoxy)-3-(octylamino)propan-2-ol
CID 12548704
1-(2-chloro-3-methylphenoxy)-3-[1-(6-hydrazinylpyridazin-3-yl)oxypropan-2-ylamino]propan-2-ol;hydrochloride
CID 70466859
N'-acetyl-N-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]-N'-phenylpropanehydrazide;pyrrolidin-2-one
CID 70586565
[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate
CID 76969657

Frequently Asked Questions

What is the IUPAC name of N-(6-hydrazinylpyridazin-3-yl)oxy-N-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]acetamide?
The IUPAC name of N-(6-hydrazinylpyridazin-3-yl)oxy-N-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]acetamide (CID 88659865) is N-(6-hydrazinylpyridazin-3-yl)oxy-N-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]acetamide.
What is the SMILES notation for N-(6-hydrazinylpyridazin-3-yl)oxy-N-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]acetamide?
The canonical SMILES for N-(6-hydrazinylpyridazin-3-yl)oxy-N-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]acetamide is CC(=O)N(CCNCC(O)COc1ccccc1C)Oc1ccc(NN)nn1.
What is the InChIKey of N-(6-hydrazinylpyridazin-3-yl)oxy-N-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]acetamide?
The InChIKey is IGRZPTXRTIOSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O4/c1-13-5-3-4-6-16(13)27-12-15(26)11-20-9-10-24(14(2)25)28-18-8-7-17(21-19)22-23-18/h3-8,15,20,26H,9-12,19H2,1-2H3,(H,21,22).
What are the key properties of N-(6-hydrazinylpyridazin-3-yl)oxy-N-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]acetamide?
N-(6-hydrazinylpyridazin-3-yl)oxy-N-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]acetamide has a molecular weight of 390.44 g/mol, XLogP of 0.24, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydrazinylpyridazin-3-yl)oxy-N-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]acetamide is sourced from PubChem (CID 88659865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).