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

C15H24ClNOPY+ — CID 159771868

IUPAC[1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-trimethylphosphanium;yttrium
SMILESCCC(C(=O)Nc1c(C)cc(Cl)cc1C)[P+](C)(C)C.[Y]
InChIInChI=1S/C15H23ClNOP.Y/c1-7-13(19(4,5)6)15(18)17-14-10(2)8-12(16)9-11(14)3;/h8-9,13H,7H2,1-6H3;/p+1
InChIKeyYDTDOSRCHFJKOA-UHFFFAOYSA-O
MW389.70 g/mol
LogP4.58
Rot. Bonds4

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

[1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-trimethylphosphanium;yttrium (PubChem CID 159771868) has the molecular formula C15H24ClNOPY+ and a molecular weight of 389.70 g/mol. Its IUPAC name is [1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-trimethylphosphanium;yttrium.

Molecular Properties

Compound Name[1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-trimethylphosphanium;yttrium
PubChem CID159771868
Molecular FormulaC15H24ClNOPY+
Molecular Weight389.70 g/mol
Exact Mass389.03
IUPAC Name[1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-trimethylphosphanium;yttrium
SMILESCCC(C(=O)Nc1c(C)cc(Cl)cc1C)[P+](C)(C)C.[Y]
InChIInChI=1S/C15H23ClNOP.Y/c1-7-13(19(4,5)6)15(18)17-14-10(2)8-12(16)9-11(14)3;/h8-9,13H,7H2,1-6H3;/p+1
InChIKeyYDTDOSRCHFJKOA-UHFFFAOYSA-O
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.70
LogP ≤ 54.58
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
ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium
CID 160551693
N-(4-chloro-2,6-dimethylphenyl)-2-(1-ethylazepan-1-ium-1-yl)propanamide
CID 159712870
N-(4-chloro-2,6-dimethylphenyl)acetamide;ethane
CID 156737682
[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium
CID 158149589
(2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide
CID 61173513
N-(2,4-dichloro-6-methylphenyl)-2,3-bis(diethylamino)propanamide;dihydrochloride
CID 24843817
[1-(2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidophosphanium;yttrium
CID 156737684
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
N-(3,5-dichloro-2-hydroxyphenyl)-2-methylbutanamide
CID 22082160

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-trimethylphosphanium;yttrium?
The IUPAC name of [1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-trimethylphosphanium;yttrium (CID 159771868) is [1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-trimethylphosphanium;yttrium.
What is the SMILES notation for [1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-trimethylphosphanium;yttrium?
The canonical SMILES for [1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-trimethylphosphanium;yttrium is CCC(C(=O)Nc1c(C)cc(Cl)cc1C)[P+](C)(C)C.[Y].
What is the InChIKey of [1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-trimethylphosphanium;yttrium?
The InChIKey is YDTDOSRCHFJKOA-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H23ClNOP.Y/c1-7-13(19(4,5)6)15(18)17-14-10(2)8-12(16)9-11(14)3;/h8-9,13H,7H2,1-6H3;/p+1.
What are the key properties of [1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-trimethylphosphanium;yttrium?
[1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-trimethylphosphanium;yttrium has a molecular weight of 389.70 g/mol, XLogP of 4.58, 4 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]-trimethylphosphanium;yttrium is sourced from PubChem (CID 159771868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).