N-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethyl]-N-(6-hydrazinylpyridazin-3-yl)oxyacetamide

C17H23ClN6O4 — CID 88659484

IUPACN-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethyl]-N-(6-hydrazinylpyridazin-3-yl)oxyacetamide
SMILESCC(=O)N(CCNCC(O)COc1ccccc1Cl)Oc1ccc(NN)nn1
InChIInChI=1S/C17H23ClN6O4/c1-12(25)24(28-17-7-6-16(21-19)22-23-17)9-8-20-10-13(26)11-27-15-5-3-2-4-14(15)18/h2-7,13,20,26H,8-11,19H2,1H3,(H,21,22)
InChIKeyZDUMEZQTEYODHV-UHFFFAOYSA-N
MW410.86 g/mol
LogP0.59
Rot. Bonds11

About N-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethyl]-N-(6-hydrazinylpyridazin-3-yl)oxyacetamide

N-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethyl]-N-(6-hydrazinylpyridazin-3-yl)oxyacetamide (PubChem CID 88659484) has the molecular formula C17H23ClN6O4 and a molecular weight of 410.86 g/mol. Its IUPAC name is N-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethyl]-N-(6-hydrazinylpyridazin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethyl]-N-(6-hydrazinylpyridazin-3-yl)oxyacetamide
PubChem CID88659484
Molecular FormulaC17H23ClN6O4
Molecular Weight410.86 g/mol
Exact Mass410.15
IUPAC NameN-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethyl]-N-(6-hydrazinylpyridazin-3-yl)oxyacetamide
SMILESCC(=O)N(CCNCC(O)COc1ccccc1Cl)Oc1ccc(NN)nn1
InChIInChI=1S/C17H23ClN6O4/c1-12(25)24(28-17-7-6-16(21-19)22-23-17)9-8-20-10-13(26)11-27-15-5-3-2-4-14(15)18/h2-7,13,20,26H,8-11,19H2,1H3,(H,21,22)
InChIKeyZDUMEZQTEYODHV-UHFFFAOYSA-N
XLogP0.59
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 50.59
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'}

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Related Compounds

N-(6-hydrazinylpyridazin-3-yl)oxy-N-[2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethyl]acetamide
CID 88659865
1-(2-chlorophenoxy)-3-[[1-[(6-hydrazinylpyridazin-3-yl)amino]-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 13288296
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea
CID 83121783
1-(2-chlorophenoxy)-3-[[(E)-pent-3-enyl]amino]propan-2-ol
CID 113465593
1-(2-chlorophenoxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61462609
1-(2-chloro-3-methylphenoxy)-3-[1-(6-hydrazinylpyridazin-3-yl)oxypropan-2-ylamino]propan-2-ol;hydrochloride
CID 70466859
5-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 106160245
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
CID 83121216
1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106147644
1-(2-chloro-4-methoxyphenoxy)-3-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 13288281
3-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938626
1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2-propylphenoxy)propan-2-ol
CID 10023248

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethyl]-N-(6-hydrazinylpyridazin-3-yl)oxyacetamide?
The IUPAC name of N-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethyl]-N-(6-hydrazinylpyridazin-3-yl)oxyacetamide (CID 88659484) is N-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethyl]-N-(6-hydrazinylpyridazin-3-yl)oxyacetamide.
What is the SMILES notation for N-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethyl]-N-(6-hydrazinylpyridazin-3-yl)oxyacetamide?
The canonical SMILES for N-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethyl]-N-(6-hydrazinylpyridazin-3-yl)oxyacetamide is CC(=O)N(CCNCC(O)COc1ccccc1Cl)Oc1ccc(NN)nn1.
What is the InChIKey of N-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethyl]-N-(6-hydrazinylpyridazin-3-yl)oxyacetamide?
The InChIKey is ZDUMEZQTEYODHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN6O4/c1-12(25)24(28-17-7-6-16(21-19)22-23-17)9-8-20-10-13(26)11-27-15-5-3-2-4-14(15)18/h2-7,13,20,26H,8-11,19H2,1H3,(H,21,22).
What are the key properties of N-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethyl]-N-(6-hydrazinylpyridazin-3-yl)oxyacetamide?
N-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethyl]-N-(6-hydrazinylpyridazin-3-yl)oxyacetamide has a molecular weight of 410.86 g/mol, XLogP of 0.59, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethyl]-N-(6-hydrazinylpyridazin-3-yl)oxyacetamide is sourced from PubChem (CID 88659484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).