2-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one

C23H25N3O3 — CID 71730392

IUPAC2-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one
SMILESCCNCc1ccc(C(=O)Cn2ncc(OCc3ccccc3)cc2=O)c(C)c1
InChIInChI=1S/C23H25N3O3/c1-3-24-13-19-9-10-21(17(2)11-19)22(27)15-26-23(28)12-20(14-25-26)29-16-18-7-5-4-6-8-18/h4-12,14,24H,3,13,15-16H2,1-2H3
InChIKeyVCLVCTZCQGKOIR-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.12
Rot. Bonds9

About 2-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one

2-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one (PubChem CID 71730392) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one
PubChem CID71730392
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one
SMILESCCNCc1ccc(C(=O)Cn2ncc(OCc3ccccc3)cc2=O)c(C)c1
InChIInChI=1S/C23H25N3O3/c1-3-24-13-19-9-10-21(17(2)11-19)22(27)15-26-23(28)12-20(14-25-26)29-16-18-7-5-4-6-8-18/h4-12,14,24H,3,13,15-16H2,1-2H3
InChIKeyVCLVCTZCQGKOIR-UHFFFAOYSA-N
XLogP3.12
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[4-(bromomethyl)-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxy-2-pyridinyl)methoxy]pyridazin-3-one
CID 86695556
2-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxy-2-pyridinyl)methoxy]pyridazin-3-one
CID 71714121
2-[2-[3-fluoro-4-(hydroxymethyl)phenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one
CID 68892721
2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]-5-phenylmethoxypyridazin-3-one
CID 58042826
1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 71730920
N-ethyl-2-[(3-phenylmethoxyphenyl)methylamino]acetamide
CID 69313120
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one
CID 146005137
N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine
CID 170995040
1-[2-[(4-methoxyphenyl)methylamino]-4-phenylmethoxyphenyl]propan-1-one
CID 174559518
2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one
CID 106548508
N-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62452902

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one?
The IUPAC name of 2-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one (CID 71730392) is 2-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one?
The canonical SMILES for 2-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one is CCNCc1ccc(C(=O)Cn2ncc(OCc3ccccc3)cc2=O)c(C)c1.
What is the InChIKey of 2-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one?
The InChIKey is VCLVCTZCQGKOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-24-13-19-9-10-21(17(2)11-19)22(27)15-26-23(28)12-20(14-25-26)29-16-18-7-5-4-6-8-18/h4-12,14,24H,3,13,15-16H2,1-2H3.
What are the key properties of 2-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one?
2-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one has a molecular weight of 391.47 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one is sourced from PubChem (CID 71730392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).