N-(2-methoxyethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide

C16H21N3O3 — CID 3636855

IUPACN-(2-methoxyethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide
SMILESCOCCNC(=O)CN1NC(c2ccc(C)cc2)=CCC1=O
InChIInChI=1S/C16H21N3O3/c1-12-3-5-13(6-4-12)14-7-8-16(21)19(18-14)11-15(20)17-9-10-22-2/h3-7,18H,8-11H2,1-2H3,(H,17,20)
InChIKeyBMQAMTSSWNUCLD-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.84
Rot. Bonds6

About N-(2-methoxyethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide

N-(2-methoxyethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide (PubChem CID 3636855) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide
PubChem CID3636855
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(2-methoxyethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide
SMILESCOCCNC(=O)CN1NC(c2ccc(C)cc2)=CCC1=O
InChIInChI=1S/C16H21N3O3/c1-12-3-5-13(6-4-12)14-7-8-16(21)19(18-14)11-15(20)17-9-10-22-2/h3-7,18H,8-11H2,1-2H3,(H,17,20)
InChIKeyBMQAMTSSWNUCLD-UHFFFAOYSA-N
XLogP0.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[2-[[2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]azanium
CID 3574498
2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 4171539
2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(4-propylpiperazine-1,4-diium-1-yl)propyl]acetamide
CID 3645212
N-(furan-2-ylmethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide
CID 3424095
N-[2-(dimethylamino)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 5060364
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]propanamide
CID 4301640
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 4206556
3-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-methylpropanamide
CID 4281759
N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-[6-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide
CID 4280262
N-[3-(4-benzylpiperidin-1-ium-1-yl)propyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 3495514
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)propanamide
CID 4988354
N-(1,3-benzodioxol-5-ylmethyl)-3-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]propanamide
CID 4307363

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide (CID 3636855) is N-(2-methoxyethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide is COCCNC(=O)CN1NC(c2ccc(C)cc2)=CCC1=O.
What is the InChIKey of N-(2-methoxyethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide?
The InChIKey is BMQAMTSSWNUCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12-3-5-13(6-4-12)14-7-8-16(21)19(18-14)11-15(20)17-9-10-22-2/h3-7,18H,8-11H2,1-2H3,(H,17,20).
What are the key properties of N-(2-methoxyethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide?
N-(2-methoxyethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide has a molecular weight of 303.36 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide is sourced from PubChem (CID 3636855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).