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

C18H22N4O4 — CID 155527377

IUPAC2-[[2-(4-methoxyphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
SMILESCOc1ccc(OCC(=O)N(CC(=O)Nc2ccnnc2)C(C)C)cc1
InChIInChI=1S/C18H22N4O4/c1-13(2)22(11-17(23)21-14-8-9-19-20-10-14)18(24)12-26-16-6-4-15(25-3)5-7-16/h4-10,13H,11-12H2,1-3H3,(H,19,21,23)
InChIKeyJTSPXUHQZOEDDC-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.74
Rot. Bonds8

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

2-[[2-(4-methoxyphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide (PubChem CID 155527377) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
PubChem CID155527377
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name2-[[2-(4-methoxyphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
SMILESCOc1ccc(OCC(=O)N(CC(=O)Nc2ccnnc2)C(C)C)cc1
InChIInChI=1S/C18H22N4O4/c1-13(2)22(11-17(23)21-14-8-9-19-20-10-14)18(24)12-26-16-6-4-15(25-3)5-7-16/h4-10,13H,11-12H2,1-3H3,(H,19,21,23)
InChIKeyJTSPXUHQZOEDDC-UHFFFAOYSA-N
XLogP1.74
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(4-methylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155517652
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-(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-[[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
ethyl (4-{[(4-methoxyphenoxy)acetyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 1506940
Methyl 2-[4-[2-oxo-2-[[2-oxo-2-(pyridazin-4-ylamino)ethyl]-propan-2-ylamino]ethoxy]phenyl]acetate
CID 155526910
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(1H-pyrazol-4-yl)propanamide
CID 45814604

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide?
The IUPAC name of 2-[[2-(4-methoxyphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide (CID 155527377) is 2-[[2-(4-methoxyphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide.
What is the SMILES notation for 2-[[2-(4-methoxyphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide?
The canonical SMILES for 2-[[2-(4-methoxyphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide is COc1ccc(OCC(=O)N(CC(=O)Nc2ccnnc2)C(C)C)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide?
The InChIKey is JTSPXUHQZOEDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-13(2)22(11-17(23)21-14-8-9-19-20-10-14)18(24)12-26-16-6-4-15(25-3)5-7-16/h4-10,13H,11-12H2,1-3H3,(H,19,21,23).
What are the key properties of 2-[[2-(4-methoxyphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide?
2-[[2-(4-methoxyphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide has a molecular weight of 358.40 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide is sourced from PubChem (CID 155527377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).