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

C19H24N4O4 — CID 155534328

IUPAC2-[[2-[4-(2-hydroxyethyl)phenoxy]acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
SMILESCC(C)N(CC(=O)Nc1ccnnc1)C(=O)COc1ccc(CCO)cc1
InChIInChI=1S/C19H24N4O4/c1-14(2)23(12-18(25)22-16-7-9-20-21-11-16)19(26)13-27-17-5-3-15(4-6-17)8-10-24/h3-7,9,11,14,24H,8,10,12-13H2,1-2H3,(H,20,22,25)
InChIKeyMBQOFWJALPNPOA-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.27
Rot. Bonds9

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

2-[[2-[4-(2-hydroxyethyl)phenoxy]acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide (PubChem CID 155534328) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[[2-[4-(2-hydroxyethyl)phenoxy]acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide.

Molecular Properties

Compound Name2-[[2-[4-(2-hydroxyethyl)phenoxy]acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
PubChem CID155534328
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name2-[[2-[4-(2-hydroxyethyl)phenoxy]acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
SMILESCC(C)N(CC(=O)Nc1ccnnc1)C(=O)COc1ccc(CCO)cc1
InChIInChI=1S/C19H24N4O4/c1-14(2)23(12-18(25)22-16-7-9-20-21-11-16)19(26)13-27-17-5-3-15(4-6-17)8-10-24/h3-7,9,11,14,24H,8,10,12-13H2,1-2H3,(H,20,22,25)
InChIKeyMBQOFWJALPNPOA-UHFFFAOYSA-N
XLogP1.27
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[4-(2-hydroxyethyl)phenoxy]acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide with MolForge

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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-methoxyphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155527377
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
Methyl 2-[4-[2-oxo-2-[[2-oxo-2-(pyridazin-4-ylamino)ethyl]-propan-2-ylamino]ethoxy]phenyl]acetate
CID 155526910
2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridin-3-ylacetamide
CID 155543085

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(2-hydroxyethyl)phenoxy]acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide?
The IUPAC name of 2-[[2-[4-(2-hydroxyethyl)phenoxy]acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide (CID 155534328) is 2-[[2-[4-(2-hydroxyethyl)phenoxy]acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide.
What is the SMILES notation for 2-[[2-[4-(2-hydroxyethyl)phenoxy]acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide?
The canonical SMILES for 2-[[2-[4-(2-hydroxyethyl)phenoxy]acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide is CC(C)N(CC(=O)Nc1ccnnc1)C(=O)COc1ccc(CCO)cc1.
What is the InChIKey of 2-[[2-[4-(2-hydroxyethyl)phenoxy]acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide?
The InChIKey is MBQOFWJALPNPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-14(2)23(12-18(25)22-16-7-9-20-21-11-16)19(26)13-27-17-5-3-15(4-6-17)8-10-24/h3-7,9,11,14,24H,8,10,12-13H2,1-2H3,(H,20,22,25).
What are the key properties of 2-[[2-[4-(2-hydroxyethyl)phenoxy]acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide?
2-[[2-[4-(2-hydroxyethyl)phenoxy]acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide has a molecular weight of 372.43 g/mol, XLogP of 1.27, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(2-hydroxyethyl)phenoxy]acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide is sourced from PubChem (CID 155534328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).