2-(4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide

C16H19N3O3 — CID 30948558

IUPAC2-(4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide
SMILESCc1ccc(OCC(=O)NCCCn2ncccc2=O)cc1
InChIInChI=1S/C16H19N3O3/c1-13-5-7-14(8-6-13)22-12-15(20)17-9-3-11-19-16(21)4-2-10-18-19/h2,4-8,10H,3,9,11-12H2,1H3,(H,17,20)
InChIKeyLZYRYEZHCGUBSU-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.14
Rot. Bonds7

About 2-(4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide

2-(4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide (PubChem CID 30948558) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide
PubChem CID30948558
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-(4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide
SMILESCc1ccc(OCC(=O)NCCCn2ncccc2=O)cc1
InChIInChI=1S/C16H19N3O3/c1-13-5-7-14(8-6-13)22-12-15(20)17-9-3-11-19-16(21)4-2-10-18-19/h2,4-8,10H,3,9,11-12H2,1H3,(H,17,20)
InChIKeyLZYRYEZHCGUBSU-UHFFFAOYSA-N
XLogP1.14
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.14
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

N-[3-(6-oxopyridazin-1-yl)propyl]-2-phenoxyacetamide
CID 30948474
2-(2-methoxy-4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide
CID 30948572
2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 47025675
2-(4-methylphenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 39539907
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide
CID 111429566
N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide
CID 110292109
2-(4-methylphenoxy)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 42224572
2-(4-chloro-3-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]propanamide
CID 121068674
N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119405354
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 121033720
N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]-2-phenoxyacetamide
CID 42138740
2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 47045575

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide (CID 30948558) is 2-(4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide is Cc1ccc(OCC(=O)NCCCn2ncccc2=O)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide?
The InChIKey is LZYRYEZHCGUBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-13-5-7-14(8-6-13)22-12-15(20)17-9-3-11-19-16(21)4-2-10-18-19/h2,4-8,10H,3,9,11-12H2,1H3,(H,17,20).
What are the key properties of 2-(4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide?
2-(4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide is sourced from PubChem (CID 30948558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).