[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium

C18H31NOPY+ — CID 158149589

IUPAC[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium
SMILESCCC(C(=O)Nc1c(C)cccc1C)[P+](CC)(CC)CC.[Y]
InChIInChI=1S/C18H30NOP.Y/c1-7-16(21(8-2,9-3)10-4)18(20)19-17-14(5)12-11-13-15(17)6;/h11-13,16H,7-10H2,1-6H3;/p+1
InChIKeyIOQPWHMKJKLCSE-UHFFFAOYSA-O
MW397.33 g/mol
LogP5.10
Rot. Bonds7

About [1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium

[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium (PubChem CID 158149589) has the molecular formula C18H31NOPY+ and a molecular weight of 397.33 g/mol. Its IUPAC name is [1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium.

Molecular Properties

Compound Name[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium
PubChem CID158149589
Molecular FormulaC18H31NOPY+
Molecular Weight397.33 g/mol
Exact Mass397.12
IUPAC Name[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium
SMILESCCC(C(=O)Nc1c(C)cccc1C)[P+](CC)(CC)CC.[Y]
InChIInChI=1S/C18H30NOP.Y/c1-7-16(21(8-2,9-3)10-4)18(20)19-17-14(5)12-11-13-15(17)6;/h11-13,16H,7-10H2,1-6H3;/p+1
InChIKeyIOQPWHMKJKLCSE-UHFFFAOYSA-O
XLogP5.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.33
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium
CID 160515011
[2-(2,6-dimethylanilino)-2-oxoethyl]-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-diethylphosphanium;yttrium
CID 158602570
[1-(2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidophosphanium;yttrium
CID 156737684
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride
CID 12546861
N-(2,6-dimethylphenyl)-2-(pentan-3-ylamino)butanamide
CID 67216874
N-(2,6-dimethylphenyl)-2-phenylbutanamide
CID 4117919
N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749
N-(2,6-dimethylphenyl)-2-(1-ethylphosphepan-1-ium-1-yl)butanamide;yttrium
CID 161486197
(2S)-2-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
CID 7044016
N-(2,6-dimethylphenyl)-2-(1-ethylphosphinan-1-ium-1-yl)butanamide
CID 159859774
bis[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium chloride
CID 24832929

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium?
The IUPAC name of [1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium (CID 158149589) is [1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium.
What is the SMILES notation for [1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium?
The canonical SMILES for [1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium is CCC(C(=O)Nc1c(C)cccc1C)[P+](CC)(CC)CC.[Y].
What is the InChIKey of [1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium?
The InChIKey is IOQPWHMKJKLCSE-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H30NOP.Y/c1-7-16(21(8-2,9-3)10-4)18(20)19-17-14(5)12-11-13-15(17)6;/h11-13,16H,7-10H2,1-6H3;/p+1.
What are the key properties of [1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium?
[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium has a molecular weight of 397.33 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium is sourced from PubChem (CID 158149589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).