[2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-diethylphosphanium;yttrium

C25H36N2O2PY+ — CID 158602570

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-diethylphosphanium;yttrium
SMILESCC[P+](CC)(CC(=O)Nc1c(C)cccc1C)C(C)C(=O)Nc1c(C)cccc1C.[Y]
InChIInChI=1S/C25H35N2O2P.Y/c1-8-30(9-2,16-22(28)26-23-17(3)12-10-13-18(23)4)21(7)25(29)27-24-19(5)14-11-15-20(24)6;/h10-15,21H,8-9,16H2,1-7H3,(H-,26,27,28,29);/p+1
InChIKeyXGYPOITZWARKEY-UHFFFAOYSA-O
MW516.46 g/mol
LogP5.94
Rot. Bonds8

About [2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-diethylphosphanium;yttrium

[2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-diethylphosphanium;yttrium (PubChem CID 158602570) has the molecular formula C25H36N2O2PY+ and a molecular weight of 516.46 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-diethylphosphanium;yttrium.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-diethylphosphanium;yttrium
PubChem CID158602570
Molecular FormulaC25H36N2O2PY+
Molecular Weight516.46 g/mol
Exact Mass516.16
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-diethylphosphanium;yttrium
SMILESCC[P+](CC)(CC(=O)Nc1c(C)cccc1C)C(C)C(=O)Nc1c(C)cccc1C.[Y]
InChIInChI=1S/C25H35N2O2P.Y/c1-8-30(9-2,16-22(28)26-23-17(3)12-10-13-18(23)4)21(7)25(29)27-24-19(5)14-11-15-20(24)6;/h10-15,21H,8-9,16H2,1-7H3,(H-,26,27,28,29);/p+1
InChIKeyXGYPOITZWARKEY-UHFFFAOYSA-O
XLogP5.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.46
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium
CID 158149589
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)acetamide
CID 21430532
2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride
CID 12546861
5-(2,6-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62964697
bis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride
CID 24832929
N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749
(2S)-2-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
CID 7044016
N-(2,6-dimethylphenyl)-2-(pentan-3-ylamino)butanamide
CID 67216874
N-(2,6-dimethylphenyl)-2-phenylbutanamide
CID 4117919
[1-(2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidophosphanium;yttrium
CID 156737684
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-diethylphosphanium;yttrium?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-diethylphosphanium;yttrium (CID 158602570) is [2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-diethylphosphanium;yttrium.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-diethylphosphanium;yttrium?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-diethylphosphanium;yttrium is CC[P+](CC)(CC(=O)Nc1c(C)cccc1C)C(C)C(=O)Nc1c(C)cccc1C.[Y].
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-diethylphosphanium;yttrium?
The InChIKey is XGYPOITZWARKEY-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H35N2O2P.Y/c1-8-30(9-2,16-22(28)26-23-17(3)12-10-13-18(23)4)21(7)25(29)27-24-19(5)14-11-15-20(24)6;/h10-15,21H,8-9,16H2,1-7H3,(H-,26,27,28,29);/p+1.
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-diethylphosphanium;yttrium?
[2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-diethylphosphanium;yttrium has a molecular weight of 516.46 g/mol, XLogP of 5.94, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-diethylphosphanium;yttrium is sourced from PubChem (CID 158602570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).