[1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium

C18H30ClNOPY+ — CID 160515011

IUPAC[1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium
SMILESCCC(C(=O)Nc1c(C)cc(Cl)cc1C)[P+](CC)(CC)CC.[Y]
InChIInChI=1S/C18H29ClNOP.Y/c1-7-16(22(8-2,9-3)10-4)18(21)20-17-13(5)11-15(19)12-14(17)6;/h11-12,16H,7-10H2,1-6H3;/p+1
InChIKeyJUCXSOSKUJYZSI-UHFFFAOYSA-O
MW431.78 g/mol
LogP5.75
Rot. Bonds7

About [1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium

[1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium (PubChem CID 160515011) has the molecular formula C18H30ClNOPY+ and a molecular weight of 431.78 g/mol. Its IUPAC name is [1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium.

Molecular Properties

Compound Name[1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium
PubChem CID160515011
Molecular FormulaC18H30ClNOPY+
Molecular Weight431.78 g/mol
Exact Mass431.08
IUPAC Name[1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium
SMILESCCC(C(=O)Nc1c(C)cc(Cl)cc1C)[P+](CC)(CC)CC.[Y]
InChIInChI=1S/C18H29ClNOP.Y/c1-7-16(22(8-2,9-3)10-4)18(21)20-17-13(5)11-15(19)12-14(17)6;/h11-12,16H,7-10H2,1-6H3;/p+1
InChIKeyJUCXSOSKUJYZSI-UHFFFAOYSA-O
XLogP5.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.78
LogP ≤ 55.75
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]-trimethylphosphanium;yttrium
CID 159771868
[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium
CID 158149589
ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium
CID 160551693
N-(4-chloro-2,6-dimethylphenyl)acetamide;ethane
CID 156737682
N-(4-chloro-2,6-dimethylphenyl)-2-(1-ethylazepan-1-ium-1-yl)propanamide
CID 159712870
N-(2,4-dichloro-6-methylphenyl)-2,3-bis(diethylamino)propanamide;dihydrochloride
CID 24843817
(2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide
CID 61173513
(2R)-2-ethyl-N-(2,4,6-trichlorophenyl)hexanamide
CID 40563643
ethyl 5-chloro-3-methyl-2-[2-(1-methylpyrrolidin-1-ium-1-yl)butanoylamino]benzoate
CID 155692825
[1-(4-chloro-2-ethoxycarbonyl-6-methylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidoazanium;yttrium
CID 155692841
N-(4-chloro-2-methylphenyl)-2-ethylbutanamide
CID 882107
2-amino-N-(2,4,6-trichlorophenyl)pentanamide
CID 43650225

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium?
The IUPAC name of [1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium (CID 160515011) is [1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium.
What is the SMILES notation for [1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium?
The canonical SMILES for [1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium is CCC(C(=O)Nc1c(C)cc(Cl)cc1C)[P+](CC)(CC)CC.[Y].
What is the InChIKey of [1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium?
The InChIKey is JUCXSOSKUJYZSI-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H29ClNOP.Y/c1-7-16(22(8-2,9-3)10-4)18(21)20-17-13(5)11-15(19)12-14(17)6;/h11-12,16H,7-10H2,1-6H3;/p+1.
What are the key properties of [1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium?
[1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium has a molecular weight of 431.78 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium is sourced from PubChem (CID 160515011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).