3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide

C24H27N3O3 — CID 51366097

IUPAC3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCC(=O)NCCCc3ccccc3)n2)cc1
InChIInChI=1S/C24H27N3O3/c1-2-30-21-12-10-20(11-13-21)22-14-15-24(29)27(26-22)18-16-23(28)25-17-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-15H,2,6,9,16-18H2,1H3,(H,25,28)
InChIKeyWTBXKSIIRHTQGI-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.45
Rot. Bonds10

About 3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide

3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide (PubChem CID 51366097) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide
PubChem CID51366097
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide
SMILESCCOc1ccc(-c2ccc(=O)n(CCC(=O)NCCCc3ccccc3)n2)cc1
InChIInChI=1S/C24H27N3O3/c1-2-30-21-12-10-20(11-13-21)22-14-15-24(29)27(26-22)18-16-23(28)25-17-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-15H,2,6,9,16-18H2,1H3,(H,25,28)
InChIKeyWTBXKSIIRHTQGI-UHFFFAOYSA-N
XLogP3.45
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.45
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-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050519
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenylbutanamide
CID 121106619
N-[2-(dimethylamino)ethyl]-4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885496
3-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide
CID 51366175
N-[2-(cyclohexen-1-yl)ethyl]-3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 51366084
N-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050455
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-methyl-N-phenylbutanamide
CID 16885616
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-iodophenyl)methyl]butanamide
CID 16885602
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide
CID 16885563
N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]-2-phenoxyacetamide
CID 42138740
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050805
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 121033720

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide (CID 51366097) is 3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide is CCOc1ccc(-c2ccc(=O)n(CCC(=O)NCCCc3ccccc3)n2)cc1.
What is the InChIKey of 3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide?
The InChIKey is WTBXKSIIRHTQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-2-30-21-12-10-20(11-13-21)22-14-15-24(29)27(26-22)18-16-23(28)25-17-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-15H,2,6,9,16-18H2,1H3,(H,25,28).
What are the key properties of 3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide?
3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide has a molecular weight of 405.50 g/mol, XLogP of 3.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 51366097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).