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

C19H27N3O3 — CID 4171539

IUPAC2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1ccc(C2=CCC(=O)N(CC(=O)NCCCOC(C)C)N2)cc1
InChIInChI=1S/C19H27N3O3/c1-14(2)25-12-4-11-20-18(23)13-22-19(24)10-9-17(21-22)16-7-5-15(3)6-8-16/h5-9,14,21H,4,10-13H2,1-3H3,(H,20,23)
InChIKeyRNYIWSSOLFSOBQ-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.00
Rot. Bonds8

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

2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 4171539) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID4171539
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1ccc(C2=CCC(=O)N(CC(=O)NCCCOC(C)C)N2)cc1
InChIInChI=1S/C19H27N3O3/c1-14(2)25-12-4-11-20-18(23)13-22-19(24)10-9-17(21-22)16-7-5-15(3)6-8-16/h5-9,14,21H,4,10-13H2,1-3H3,(H,20,23)
InChIKeyRNYIWSSOLFSOBQ-UHFFFAOYSA-N
XLogP2.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.00
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

N-(2-methoxyethyl)-2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetamide
CID 3636855
dimethyl-[2-[[2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]acetyl]amino]ethyl]azanium
CID 3574498
N-(3-methylbutyl)-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 3295262
2-[6-(4-methoxyphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(N-methylanilino)propyl]acetamide
CID 3303097
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 39710283
2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 5099385
2-[6-(4-chlorophenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-[3-(diethylamino)-2-methylpropyl]acetamide
CID 4280505
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
N-[3-(4-benzylpiperidin-1-ium-1-yl)propyl]-2-(3-oxo-6-phenyl-1,4-dihydropyridazin-2-yl)acetamide
CID 3495514
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8997912
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8582035
2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8582166

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-(3-propan-2-yloxypropyl)acetamide (CID 4171539) is 2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-(3-propan-2-yloxypropyl)acetamide is Cc1ccc(C2=CCC(=O)N(CC(=O)NCCCOC(C)C)N2)cc1.
What is the InChIKey of 2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is RNYIWSSOLFSOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(2)25-12-4-11-20-18(23)13-22-19(24)10-9-17(21-22)16-7-5-15(3)6-8-16/h5-9,14,21H,4,10-13H2,1-3H3,(H,20,23).
What are the key properties of 2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-(3-propan-2-yloxypropyl)acetamide?
2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 345.44 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methylphenyl)-3-oxo-1,4-dihydropyridazin-2-yl]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 4171539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).