N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C22H23N3O3 — CID 52508691

IUPACN-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCCOc1cccc([C@H](C)NC(=O)Cn2nc(-c3ccccc3)ccc2=O)c1
InChIInChI=1S/C22H23N3O3/c1-3-28-19-11-7-10-18(14-19)16(2)23-21(26)15-25-22(27)13-12-20(24-25)17-8-5-4-6-9-17/h4-14,16H,3,15H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyJNGWWLFKHXMGOQ-INIZCTEOSA-N
MW377.44 g/mol
LogP3.19
Rot. Bonds7

About N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 52508691) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID52508691
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCCOc1cccc([C@H](C)NC(=O)Cn2nc(-c3ccccc3)ccc2=O)c1
InChIInChI=1S/C22H23N3O3/c1-3-28-19-11-7-10-18(14-19)16(2)23-21(26)15-25-22(27)13-12-20(24-25)17-8-5-4-6-9-17/h4-14,16H,3,15H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyJNGWWLFKHXMGOQ-INIZCTEOSA-N
XLogP3.19
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzhydryl-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050431
N-[1-(4-ethylphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 47051909
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propan-2-ylacetamide
CID 5057313
N-(3,3-diphenylpropyl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050455
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050519
3-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)propanamide
CID 51366015
methyl (2S)-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]propanoate
CID 91901510
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 124854962
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 124615249
3-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]butanoic acid
CID 56922525
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051815
N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050559

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 52508691) is N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is CCOc1cccc([C@H](C)NC(=O)Cn2nc(-c3ccccc3)ccc2=O)c1.
What is the InChIKey of N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is JNGWWLFKHXMGOQ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-28-19-11-7-10-18(14-19)16(2)23-21(26)15-25-22(27)13-12-20(24-25)17-8-5-4-6-9-17/h4-14,16H,3,15H2,1-2H3,(H,23,26)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 377.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 52508691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).