2-(4-methylphenoxy)-N-[(6-methylpyridazin-3-yl)methyl]acetamide

C15H17N3O2 — CID 110737921

IUPAC2-(4-methylphenoxy)-N-[(6-methylpyridazin-3-yl)methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2ccc(C)nn2)cc1
InChIInChI=1S/C15H17N3O2/c1-11-3-7-14(8-4-11)20-10-15(19)16-9-13-6-5-12(2)17-18-13/h3-8H,9-10H2,1-2H3,(H,16,19)
InChIKeyLIYIZKKFYGGNPB-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.79
Rot. Bonds5

About 2-(4-methylphenoxy)-N-[(6-methylpyridazin-3-yl)methyl]acetamide

2-(4-methylphenoxy)-N-[(6-methylpyridazin-3-yl)methyl]acetamide (PubChem CID 110737921) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[(6-methylpyridazin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[(6-methylpyridazin-3-yl)methyl]acetamide
PubChem CID110737921
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(4-methylphenoxy)-N-[(6-methylpyridazin-3-yl)methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2ccc(C)nn2)cc1
InChIInChI=1S/C15H17N3O2/c1-11-3-7-14(8-4-11)20-10-15(19)16-9-13-6-5-12(2)17-18-13/h3-8H,9-10H2,1-2H3,(H,16,19)
InChIKeyLIYIZKKFYGGNPB-UHFFFAOYSA-N
XLogP1.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N-[(6-methylpyridazin-3-yl)methyl]propanamide
CID 110737936
N-[(6-methylpyridazin-3-yl)methyl]-2-sulfanylacetamide
CID 130901261
2-(4-methylphenoxy)-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 110319572
N-[(6-methylpyridazin-3-yl)methyl]acetamide
CID 110737862
2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 7473183
2-(4-methylphenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352390
2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
2-(4-methylphenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 121165464
6-methyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 6498628
N-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide
CID 115636840
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 16866668

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[(6-methylpyridazin-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[(6-methylpyridazin-3-yl)methyl]acetamide (CID 110737921) is 2-(4-methylphenoxy)-N-[(6-methylpyridazin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[(6-methylpyridazin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[(6-methylpyridazin-3-yl)methyl]acetamide is Cc1ccc(OCC(=O)NCc2ccc(C)nn2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[(6-methylpyridazin-3-yl)methyl]acetamide?
The InChIKey is LIYIZKKFYGGNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-3-7-14(8-4-11)20-10-15(19)16-9-13-6-5-12(2)17-18-13/h3-8H,9-10H2,1-2H3,(H,16,19).
What are the key properties of 2-(4-methylphenoxy)-N-[(6-methylpyridazin-3-yl)methyl]acetamide?
2-(4-methylphenoxy)-N-[(6-methylpyridazin-3-yl)methyl]acetamide has a molecular weight of 271.32 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[(6-methylpyridazin-3-yl)methyl]acetamide is sourced from PubChem (CID 110737921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).