2-[[2-(4-methylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide

C18H22N4O3 — CID 155517652

IUPAC2-[[2-(4-methylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
SMILESCc1ccc(OCC(=O)N(CC(=O)Nc2ccnnc2)C(C)C)cc1
InChIInChI=1S/C18H22N4O3/c1-13(2)22(11-17(23)21-15-8-9-19-20-10-15)18(24)12-25-16-6-4-14(3)5-7-16/h4-10,13H,11-12H2,1-3H3,(H,19,21,23)
InChIKeyJGHRNYHNWWKGEX-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.04
Rot. Bonds7

About 2-[[2-(4-methylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide

2-[[2-(4-methylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide (PubChem CID 155517652) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[[2-(4-methylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide.

Molecular Properties

Compound Name2-[[2-(4-methylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
PubChem CID155517652
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-[[2-(4-methylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
SMILESCc1ccc(OCC(=O)N(CC(=O)Nc2ccnnc2)C(C)C)cc1
InChIInChI=1S/C18H22N4O3/c1-13(2)22(11-17(23)21-15-8-9-19-20-10-15)18(24)12-25-16-6-4-14(3)5-7-16/h4-10,13H,11-12H2,1-3H3,(H,19,21,23)
InChIKeyJGHRNYHNWWKGEX-UHFFFAOYSA-N
XLogP2.04
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-((methyl(2-(4-methylphenoxy)ethyl)carbamoyl)methyl)-1H-pyrazol-4-yl)-3-phenoxypropanamide
CID 26357859
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2-(4-methylphenoxy)acetamide
CID 661649
2-[[2-(4-ethylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155522148
2-[[2-(4-bromophenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155523507
2-[[2-(4-methoxyphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155527377
2-[[2-[4-(2-hydroxyethyl)phenoxy]acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155534328
2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridazin-4-ylacetamide
CID 155535051
2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-4-ylacetamide
CID 155538548
2-[[2-(4-ethoxyphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155542487
2-[[2-(4-pentylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155543581
2-[[2-[4-(2-methylpropyl)phenoxy]acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155564187
2-[[2-(4-butylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155566562

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide?
The IUPAC name of 2-[[2-(4-methylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide (CID 155517652) is 2-[[2-(4-methylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide.
What is the SMILES notation for 2-[[2-(4-methylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide?
The canonical SMILES for 2-[[2-(4-methylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide is Cc1ccc(OCC(=O)N(CC(=O)Nc2ccnnc2)C(C)C)cc1.
What is the InChIKey of 2-[[2-(4-methylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide?
The InChIKey is JGHRNYHNWWKGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13(2)22(11-17(23)21-15-8-9-19-20-10-15)18(24)12-25-16-6-4-14(3)5-7-16/h4-10,13H,11-12H2,1-3H3,(H,19,21,23).
What are the key properties of 2-[[2-(4-methylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide?
2-[[2-(4-methylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide has a molecular weight of 342.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide is sourced from PubChem (CID 155517652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).