N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-phenylbutanamide

C20H21N3O3 — CID 41246615

IUPACN-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCCOc1ccc(-c2ccco2)nn1
InChIInChI=1S/C20H21N3O3/c24-19(10-4-8-16-6-2-1-3-7-16)21-13-15-26-20-12-11-17(22-23-20)18-9-5-14-25-18/h1-3,5-7,9,11-12,14H,4,8,10,13,15H2,(H,21,24)
InChIKeyFCCMVEQFPFUDOK-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.25
Rot. Bonds9

About N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-phenylbutanamide

N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-phenylbutanamide (PubChem CID 41246615) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-phenylbutanamide
PubChem CID41246615
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)NCCOc1ccc(-c2ccco2)nn1
InChIInChI=1S/C20H21N3O3/c24-19(10-4-8-16-6-2-1-3-7-16)21-13-15-26-20-12-11-17(22-23-20)18-9-5-14-25-18/h1-3,5-7,9,11-12,14H,4,8,10,13,15H2,(H,21,24)
InChIKeyFCCMVEQFPFUDOK-UHFFFAOYSA-N
XLogP3.25
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzamide
CID 41246588
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenylbutanamide
CID 16905505
2-ethoxy-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzamide
CID 41246633
N-[[3-(furan-2-yl)pyrazin-2-yl]methyl]-4-phenylbutanamide
CID 121198828
N-[2-(2-methylphenoxy)ethyl]-4-phenylbutanamide
CID 60538344
N-[3-(furan-2-yl)-3-hydroxypropyl]-4-phenylbutanamide
CID 90523706
2-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246880
N-[4-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethylsulfamoyl]phenyl]acetamide
CID 41246898
3-(4-methoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]propanamide
CID 18589523
3-(furan-2-yl)-N-(2-phenoxyethyl)propanamide
CID 78771849
N-[2-(2-chloroethoxy)ethyl]-4-phenylbutanamide
CID 113271747
2,5-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246883

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-phenylbutanamide?
The IUPAC name of N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-phenylbutanamide (CID 41246615) is N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-phenylbutanamide?
The canonical SMILES for N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-phenylbutanamide is O=C(CCCc1ccccc1)NCCOc1ccc(-c2ccco2)nn1.
What is the InChIKey of N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-phenylbutanamide?
The InChIKey is FCCMVEQFPFUDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-19(10-4-8-16-6-2-1-3-7-16)21-13-15-26-20-12-11-17(22-23-20)18-9-5-14-25-18/h1-3,5-7,9,11-12,14H,4,8,10,13,15H2,(H,21,24).
What are the key properties of N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-phenylbutanamide?
N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-phenylbutanamide has a molecular weight of 351.41 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-phenylbutanamide is sourced from PubChem (CID 41246615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).