2-(3,4-dimethoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide

C23H25N3O4 — CID 26845125

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCOc2ccc(-c3ccc(C)cc3)nn2)cc1OC
InChIInChI=1S/C23H25N3O4/c1-16-4-7-18(8-5-16)19-9-11-23(26-25-19)30-13-12-24-22(27)15-17-6-10-20(28-2)21(14-17)29-3/h4-11,14H,12-13,15H2,1-3H3,(H,24,27)
InChIKeyMRKWORJCKFPPCU-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.21
Rot. Bonds9

About 2-(3,4-dimethoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide (PubChem CID 26845125) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide
PubChem CID26845125
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCOc2ccc(-c3ccc(C)cc3)nn2)cc1OC
InChIInChI=1S/C23H25N3O4/c1-16-4-7-18(8-5-16)19-9-11-23(26-25-19)30-13-12-24-22(27)15-17-6-10-20(28-2)21(14-17)29-3/h4-11,14H,12-13,15H2,1-3H3,(H,24,27)
InChIKeyMRKWORJCKFPPCU-UHFFFAOYSA-N
XLogP3.21
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]propanamide
CID 18589523
N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]cyclopropanecarboxamide
CID 18589504
2,2,2-trifluoro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide
CID 18589518
3-methyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzamide
CID 26845123
2-ethoxy-N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]acetamide
CID 18589538
2-(3,4-dimethoxyphenyl)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533354
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112994021
2-(3,4-dimethoxyphenyl)-N-[2-(3-ethoxyphenoxy)ethyl]acetamide
CID 113100610
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
2-(3,4-dimethoxyphenyl)-N-[2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethyl]acetamide
CID 53008595
N-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320745
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide
CID 108542599

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide (CID 26845125) is 2-(3,4-dimethoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide is COc1ccc(CC(=O)NCCOc2ccc(-c3ccc(C)cc3)nn2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide?
The InChIKey is MRKWORJCKFPPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-16-4-7-18(8-5-16)19-9-11-23(26-25-19)30-13-12-24-22(27)15-17-6-10-20(28-2)21(14-17)29-3/h4-11,14H,12-13,15H2,1-3H3,(H,24,27).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide has a molecular weight of 407.47 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide is sourced from PubChem (CID 26845125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).