3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide

C20H27N3O3 — CID 24792839

IUPAC3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCCc1ccc(C2=NN(CCC(=O)NCC3CCCO3)C(=O)CC2)cc1
InChIInChI=1S/C20H27N3O3/c1-2-15-5-7-16(8-6-15)18-9-10-20(25)23(22-18)12-11-19(24)21-14-17-4-3-13-26-17/h5-8,17H,2-4,9-14H2,1H3,(H,21,24)
InChIKeyOEXFDXKHYXOYJJ-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.26
Rot. Bonds7

About 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide

3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 24792839) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID24792839
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCCc1ccc(C2=NN(CCC(=O)NCC3CCCO3)C(=O)CC2)cc1
InChIInChI=1S/C20H27N3O3/c1-2-15-5-7-16(8-6-15)18-9-10-20(25)23(22-18)12-11-19(24)21-14-17-4-3-13-26-17/h5-8,17H,2-4,9-14H2,1H3,(H,21,24)
InChIKeyOEXFDXKHYXOYJJ-UHFFFAOYSA-N
XLogP2.26
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)propanamide
CID 15992445
4-(3-methyl-4-oxophthalazin-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 2952201
N-(3-methylbutyl)-3-[3-(4-methylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]propanamide
CID 12005450
N-cyclopentyl-3-[3-(4-methylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]propanamide
CID 16001610
N-[3-(Morpholin-4-YL)propyl]-3-(6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-YL)propanamide
CID 24789938
N-(2-methoxyethyl)-2-[3-(4-methylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 15993418
N-(3-ethoxypropyl)-2-[3-(4-methylphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 15995017
N-(3-methoxypropyl)-3-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)propanamide
CID 16001575
N-(2-methoxyethyl)-3-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)propanamide
CID 24761518
3-[3-(4-Methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]-N-[3-(morpholin-4-YL)propyl]propanamide
CID 16001611
3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 662958
N-(oxolan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053348

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 24792839) is 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide is CCc1ccc(C2=NN(CCC(=O)NCC3CCCO3)C(=O)CC2)cc1.
What is the InChIKey of 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is OEXFDXKHYXOYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-2-15-5-7-16(8-6-15)18-9-10-20(25)23(22-18)12-11-19(24)21-14-17-4-3-13-26-17/h5-8,17H,2-4,9-14H2,1H3,(H,21,24).
What are the key properties of 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide?
3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 357.45 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 24792839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).