2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridazin-4-ylacetamide

C20H26N4O3 — CID 155535051

IUPAC2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridazin-4-ylacetamide
SMILESCCCc1ccc(OCC(=O)N(CC(=O)Nc2ccnnc2)C(C)C)cc1
InChIInChI=1S/C20H26N4O3/c1-4-5-16-6-8-18(9-7-16)27-14-20(26)24(15(2)3)13-19(25)23-17-10-11-21-22-12-17/h6-12,15H,4-5,13-14H2,1-3H3,(H,21,23,25)
InChIKeyHQCCUHUDMYRBGR-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.68
Rot. Bonds9

About 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridazin-4-ylacetamide

2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridazin-4-ylacetamide (PubChem CID 155535051) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridazin-4-ylacetamide.

Molecular Properties

Compound Name2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridazin-4-ylacetamide
PubChem CID155535051
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridazin-4-ylacetamide
SMILESCCCc1ccc(OCC(=O)N(CC(=O)Nc2ccnnc2)C(C)C)cc1
InChIInChI=1S/C20H26N4O3/c1-4-5-16-6-8-18(9-7-16)27-14-20(26)24(15(2)3)13-19(25)23-17-10-11-21-22-12-17/h6-12,15H,4-5,13-14H2,1-3H3,(H,21,23,25)
InChIKeyHQCCUHUDMYRBGR-UHFFFAOYSA-N
XLogP2.68
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.68
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-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-[[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-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-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridazin-4-ylacetamide?
The IUPAC name of 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridazin-4-ylacetamide (CID 155535051) is 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridazin-4-ylacetamide.
What is the SMILES notation for 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridazin-4-ylacetamide?
The canonical SMILES for 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridazin-4-ylacetamide is CCCc1ccc(OCC(=O)N(CC(=O)Nc2ccnnc2)C(C)C)cc1.
What is the InChIKey of 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridazin-4-ylacetamide?
The InChIKey is HQCCUHUDMYRBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-5-16-6-8-18(9-7-16)27-14-20(26)24(15(2)3)13-19(25)23-17-10-11-21-22-12-17/h6-12,15H,4-5,13-14H2,1-3H3,(H,21,23,25).
What are the key properties of 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridazin-4-ylacetamide?
2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridazin-4-ylacetamide has a molecular weight of 370.45 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[2-(4-propylphenoxy)acetyl]amino]-N-pyridazin-4-ylacetamide is sourced from PubChem (CID 155535051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).