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

C17H21N3O4 — CID 30948572

IUPAC2-(2-methoxy-4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NCCCn1ncccc1=O
InChIInChI=1S/C17H21N3O4/c1-13-6-7-14(15(11-13)23-2)24-12-16(21)18-8-4-10-20-17(22)5-3-9-19-20/h3,5-7,9,11H,4,8,10,12H2,1-2H3,(H,18,21)
InChIKeyRNLHXBMDPOZGCO-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.15
Rot. Bonds8

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

2-(2-methoxy-4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide (PubChem CID 30948572) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide
PubChem CID30948572
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name2-(2-methoxy-4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NCCCn1ncccc1=O
InChIInChI=1S/C17H21N3O4/c1-13-6-7-14(15(11-13)23-2)24-12-16(21)18-8-4-10-20-17(22)5-3-9-19-20/h3,5-7,9,11H,4,8,10,12H2,1-2H3,(H,18,21)
InChIKeyRNLHXBMDPOZGCO-UHFFFAOYSA-N
XLogP1.15
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.15
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

2-(4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide
CID 30948558
2-(2-methoxy-4-methylphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide
CID 90538738
N-[3-(6-oxopyridazin-1-yl)propyl]-2-phenoxyacetamide
CID 30948474
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide
CID 121050261
1-(3,4-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948399
1-(2,5-dimethoxyphenyl)-3-[3-(6-oxopyridazin-1-yl)propyl]urea
CID 30948397
2-(2-methoxy-4-methylphenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277222
2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226764
N-[3-(2-fluorophenoxy)propyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18120320
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]acetamide
CID 90538716
2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
CID 30948423
2-(2-methoxy-4-methylphenoxy)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 86930066

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide (CID 30948572) is 2-(2-methoxy-4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide is COc1cc(C)ccc1OCC(=O)NCCCn1ncccc1=O.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide?
The InChIKey is RNLHXBMDPOZGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-13-6-7-14(15(11-13)23-2)24-12-16(21)18-8-4-10-20-17(22)5-3-9-19-20/h3,5-7,9,11H,4,8,10,12H2,1-2H3,(H,18,21).
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide?
2-(2-methoxy-4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide has a molecular weight of 331.37 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-N-[3-(6-oxopyridazin-1-yl)propyl]acetamide is sourced from PubChem (CID 30948572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).