3-(4-methoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]propanamide

C23H25N3O3 — CID 18589523

IUPAC3-(4-methoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCOc2ccc(-c3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C23H25N3O3/c1-17-3-8-19(9-4-17)21-12-14-23(26-25-21)29-16-15-24-22(27)13-7-18-5-10-20(28-2)11-6-18/h3-6,8-12,14H,7,13,15-16H2,1-2H3,(H,24,27)
InChIKeyRVXJEJABEGJKIW-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.59
Rot. Bonds9

About 3-(4-methoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]propanamide

3-(4-methoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]propanamide (PubChem CID 18589523) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]propanamide
PubChem CID18589523
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-(4-methoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCOc2ccc(-c3ccc(C)cc3)nn2)cc1
InChIInChI=1S/C23H25N3O3/c1-17-3-8-19(9-4-17)21-12-14-23(26-25-21)29-16-15-24-22(27)13-7-18-5-10-20(28-2)11-6-18/h3-6,8-12,14H,7,13,15-16H2,1-2H3,(H,24,27)
InChIKeyRVXJEJABEGJKIW-UHFFFAOYSA-N
XLogP3.59
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.59
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-ethoxy-N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]acetamide
CID 18589538
2-(3,4-dimethoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide
CID 26845125
2,2,2-trifluoro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide
CID 18589518
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide
CID 84816880
N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 5227207
N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]cyclopropanecarboxamide
CID 18589504
2-[2-[3-(4-methoxyphenyl)propanoylamino]ethoxy]acetic acid
CID 79457335
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 41240937
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
N-[3-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)acetamide
CID 93165804
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970038

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]propanamide (CID 18589523) is 3-(4-methoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]propanamide is COc1ccc(CCC(=O)NCCOc2ccc(-c3ccc(C)cc3)nn2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]propanamide?
The InChIKey is RVXJEJABEGJKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17-3-8-19(9-4-17)21-12-14-23(26-25-21)29-16-15-24-22(27)13-7-18-5-10-20(28-2)11-6-18/h3-6,8-12,14H,7,13,15-16H2,1-2H3,(H,24,27).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]propanamide?
3-(4-methoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]propanamide has a molecular weight of 391.47 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]propanamide is sourced from PubChem (CID 18589523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).