tributyl-[2-(4-methoxy-2,6-dimethylanilino)-2-oxoethyl]phosphanium;yttrium

C23H41NO2PY+ — CID 157204933

IUPACtributyl-[2-(4-methoxy-2,6-dimethylanilino)-2-oxoethyl]phosphanium;yttrium
SMILESCCCC[P+](CCCC)(CCCC)CC(=O)Nc1c(C)cc(OC)cc1C.[Y]
InChIInChI=1S/C23H40NO2P.Y/c1-7-10-13-27(14-11-8-2,15-12-9-3)18-22(25)24-23-19(4)16-21(26-6)17-20(23)5;/h16-17H,7-15,18H2,1-6H3;/p+1
InChIKeyLQNTUQMWIVZQEH-UHFFFAOYSA-O
MW483.47 g/mol
LogP6.67
Rot. Bonds13

About tributyl-[2-(4-methoxy-2,6-dimethylanilino)-2-oxoethyl]phosphanium;yttrium

tributyl-[2-(4-methoxy-2,6-dimethylanilino)-2-oxoethyl]phosphanium;yttrium (PubChem CID 157204933) has the molecular formula C23H41NO2PY+ and a molecular weight of 483.47 g/mol. Its IUPAC name is tributyl-[2-(4-methoxy-2,6-dimethylanilino)-2-oxoethyl]phosphanium;yttrium.

Molecular Properties

Compound Nametributyl-[2-(4-methoxy-2,6-dimethylanilino)-2-oxoethyl]phosphanium;yttrium
PubChem CID157204933
Molecular FormulaC23H41NO2PY+
Molecular Weight483.47 g/mol
Exact Mass483.19
IUPAC Nametributyl-[2-(4-methoxy-2,6-dimethylanilino)-2-oxoethyl]phosphanium;yttrium
SMILESCCCC[P+](CCCC)(CCCC)CC(=O)Nc1c(C)cc(OC)cc1C.[Y]
InChIInChI=1S/C23H40NO2P.Y/c1-7-10-13-27(14-11-8-2,15-12-9-3)18-22(25)24-23-19(4)16-21(26-6)17-20(23)5;/h16-17H,7-15,18H2,1-6H3;/p+1
InChIKeyLQNTUQMWIVZQEH-UHFFFAOYSA-O
XLogP6.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.47
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxy-2,6-dimethylphenyl)butanamide
CID 155118629
ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium
CID 160551693
N-(4-methoxy-2,6-dimethylphenyl)acetamide
CID 5268765
triethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]azanium
CID 160866649
[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidoazanium
CID 155692450
2-(1-ethylazepan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)acetamide;yttrium
CID 158013703
2-(1-ethylphospholan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)pentanamide;yttrium
CID 158659202
ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]-methyl-propylazanium
CID 155693210
N-(4-methoxy-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)acetamide
CID 156737700
N'-(4-methoxy-2,6-dimethylphenyl)oxamide
CID 22638433
2-amino-N-(4-methoxy-2-methylphenyl)hexanamide
CID 62871713
2-(1-ethylazepan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide;yttrium
CID 161000535

Frequently Asked Questions

What is the IUPAC name of tributyl-[2-(4-methoxy-2,6-dimethylanilino)-2-oxoethyl]phosphanium;yttrium?
The IUPAC name of tributyl-[2-(4-methoxy-2,6-dimethylanilino)-2-oxoethyl]phosphanium;yttrium (CID 157204933) is tributyl-[2-(4-methoxy-2,6-dimethylanilino)-2-oxoethyl]phosphanium;yttrium.
What is the SMILES notation for tributyl-[2-(4-methoxy-2,6-dimethylanilino)-2-oxoethyl]phosphanium;yttrium?
The canonical SMILES for tributyl-[2-(4-methoxy-2,6-dimethylanilino)-2-oxoethyl]phosphanium;yttrium is CCCC[P+](CCCC)(CCCC)CC(=O)Nc1c(C)cc(OC)cc1C.[Y].
What is the InChIKey of tributyl-[2-(4-methoxy-2,6-dimethylanilino)-2-oxoethyl]phosphanium;yttrium?
The InChIKey is LQNTUQMWIVZQEH-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H40NO2P.Y/c1-7-10-13-27(14-11-8-2,15-12-9-3)18-22(25)24-23-19(4)16-21(26-6)17-20(23)5;/h16-17H,7-15,18H2,1-6H3;/p+1.
What are the key properties of tributyl-[2-(4-methoxy-2,6-dimethylanilino)-2-oxoethyl]phosphanium;yttrium?
tributyl-[2-(4-methoxy-2,6-dimethylanilino)-2-oxoethyl]phosphanium;yttrium has a molecular weight of 483.47 g/mol, XLogP of 6.67, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[2-(4-methoxy-2,6-dimethylanilino)-2-oxoethyl]phosphanium;yttrium is sourced from PubChem (CID 157204933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).