ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium

C17H29NO2PY+ — CID 160551693

IUPACethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium
SMILESCCC(C(=O)Nc1c(C)cc(OC)cc1C)[P+](C)(C)CC.[Y]
InChIInChI=1S/C17H28NO2P.Y/c1-8-15(21(6,7)9-2)17(19)18-16-12(3)10-14(20-5)11-13(16)4;/h10-11,15H,8-9H2,1-7H3;/p+1
InChIKeyMYRYAQLVQNERQH-UHFFFAOYSA-O
MW399.30 g/mol
LogP4.32
Rot. Bonds6

About ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium

ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium (PubChem CID 160551693) has the molecular formula C17H29NO2PY+ and a molecular weight of 399.30 g/mol. Its IUPAC name is ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium.

Molecular Properties

Compound Nameethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium
PubChem CID160551693
Molecular FormulaC17H29NO2PY+
Molecular Weight399.30 g/mol
Exact Mass399.10
IUPAC Nameethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium
SMILESCCC(C(=O)Nc1c(C)cc(OC)cc1C)[P+](C)(C)CC.[Y]
InChIInChI=1S/C17H28NO2P.Y/c1-8-15(21(6,7)9-2)17(19)18-16-12(3)10-14(20-5)11-13(16)4;/h10-11,15H,8-9H2,1-7H3;/p+1
InChIKeyMYRYAQLVQNERQH-UHFFFAOYSA-O
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 54.32
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

[1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium
CID 160515011
[1-(4-chloro-2,6-dimethylanilino)-1-oxobutan-2-yl]-trimethylphosphanium;yttrium
CID 159771868
2-(1-ethylazepan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide;yttrium
CID 161000535
2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)butanamide
CID 158002068
N-(4-methoxy-2,6-dimethylphenyl)acetamide
CID 5268765
2-(1-ethylphospholan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)pentanamide;yttrium
CID 158659202
[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidoazanium
CID 155692450
tributyl-[2-(4-methoxy-2,6-dimethylanilino)-2-oxoethyl]phosphanium;yttrium
CID 157204933
triethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]azanium
CID 160866649
2-(1-ethylpiperidin-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide
CID 160537356
N-(4-methoxy-2,6-dimethylphenyl)butanamide
CID 155118629
N'-(4-methoxy-2,6-dimethylphenyl)oxamide
CID 22638433

Frequently Asked Questions

What is the IUPAC name of ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium?
The IUPAC name of ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium (CID 160551693) is ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium.
What is the SMILES notation for ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium?
The canonical SMILES for ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium is CCC(C(=O)Nc1c(C)cc(OC)cc1C)[P+](C)(C)CC.[Y].
What is the InChIKey of ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium?
The InChIKey is MYRYAQLVQNERQH-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H28NO2P.Y/c1-8-15(21(6,7)9-2)17(19)18-16-12(3)10-14(20-5)11-13(16)4;/h10-11,15H,8-9H2,1-7H3;/p+1.
What are the key properties of ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium?
ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium has a molecular weight of 399.30 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium is sourced from PubChem (CID 160551693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).