N-(2,6-dimethylphenyl)-2-(1-ethylphosphepan-1-ium-1-yl)butanamide;yttrium

C20H33NOPY+ — CID 161486197

IUPACN-(2,6-dimethylphenyl)-2-(1-ethylphosphepan-1-ium-1-yl)butanamide;yttrium
SMILESCCC(C(=O)Nc1c(C)cccc1C)[P+]1(CC)CCCCCC1.[Y]
InChIInChI=1S/C20H32NOP.Y/c1-5-18(23(6-2)14-9-7-8-10-15-23)20(22)21-19-16(3)12-11-13-17(19)4;/h11-13,18H,5-10,14-15H2,1-4H3;/p+1
InChIKeyCAPKSGOYOSUOPC-UHFFFAOYSA-O
MW423.37 g/mol
LogP5.63
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-(1-ethylphosphepan-1-ium-1-yl)butanamide;yttrium

N-(2,6-dimethylphenyl)-2-(1-ethylphosphepan-1-ium-1-yl)butanamide;yttrium (PubChem CID 161486197) has the molecular formula C20H33NOPY+ and a molecular weight of 423.37 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(1-ethylphosphepan-1-ium-1-yl)butanamide;yttrium.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(1-ethylphosphepan-1-ium-1-yl)butanamide;yttrium
PubChem CID161486197
Molecular FormulaC20H33NOPY+
Molecular Weight423.37 g/mol
Exact Mass423.14
IUPAC NameN-(2,6-dimethylphenyl)-2-(1-ethylphosphepan-1-ium-1-yl)butanamide;yttrium
SMILESCCC(C(=O)Nc1c(C)cccc1C)[P+]1(CC)CCCCCC1.[Y]
InChIInChI=1S/C20H32NOP.Y/c1-5-18(23(6-2)14-9-7-8-10-15-23)20(22)21-19-16(3)12-11-13-17(19)4;/h11-13,18H,5-10,14-15H2,1-4H3;/p+1
InChIKeyCAPKSGOYOSUOPC-UHFFFAOYSA-O
XLogP5.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.37
LogP ≤ 55.63
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

N-(2,6-dimethylphenyl)-2-(1-ethylphosphinan-1-ium-1-yl)butanamide
CID 159859774
2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)butanamide
CID 158002068
2-(1-ethylphospholan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)pentanamide;yttrium
CID 158659202
[1-(2,6-dimethylanilino)-1-oxobutan-2-yl]-triethylphosphanium;yttrium
CID 158149589
2-(1-ethylphosphinan-1-ium-1-yl)-N-(4-isocyano-2,6-dimethylphenyl)pentanamide
CID 159774782
CID 161387675
CID 161387675
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride
CID 12546861
N-(4-cyano-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)butanamide
CID 156737793
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

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(1-ethylphosphepan-1-ium-1-yl)butanamide;yttrium?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(1-ethylphosphepan-1-ium-1-yl)butanamide;yttrium (CID 161486197) is N-(2,6-dimethylphenyl)-2-(1-ethylphosphepan-1-ium-1-yl)butanamide;yttrium.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(1-ethylphosphepan-1-ium-1-yl)butanamide;yttrium?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(1-ethylphosphepan-1-ium-1-yl)butanamide;yttrium is CCC(C(=O)Nc1c(C)cccc1C)[P+]1(CC)CCCCCC1.[Y].
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(1-ethylphosphepan-1-ium-1-yl)butanamide;yttrium?
The InChIKey is CAPKSGOYOSUOPC-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H32NOP.Y/c1-5-18(23(6-2)14-9-7-8-10-15-23)20(22)21-19-16(3)12-11-13-17(19)4;/h11-13,18H,5-10,14-15H2,1-4H3;/p+1.
What are the key properties of N-(2,6-dimethylphenyl)-2-(1-ethylphosphepan-1-ium-1-yl)butanamide;yttrium?
N-(2,6-dimethylphenyl)-2-(1-ethylphosphepan-1-ium-1-yl)butanamide;yttrium has a molecular weight of 423.37 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(1-ethylphosphepan-1-ium-1-yl)butanamide;yttrium is sourced from PubChem (CID 161486197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).