2-(1-ethylphospholan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)pentanamide;yttrium

C20H33NO2PY+ — CID 158659202

IUPAC2-(1-ethylphospholan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)pentanamide;yttrium
SMILESCCCC(C(=O)Nc1c(C)cc(OC)cc1C)[P+]1(CC)CCCC1.[Y]
InChIInChI=1S/C20H32NO2P.Y/c1-6-10-18(24(7-2)11-8-9-12-24)20(22)21-19-15(3)13-17(23-5)14-16(19)4;/h13-14,18H,6-12H2,1-5H3;/p+1
InChIKeyKQXWKIIHLCBKIP-UHFFFAOYSA-O
MW439.37 g/mol
LogP5.25
Rot. Bonds7

About 2-(1-ethylphospholan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)pentanamide;yttrium

2-(1-ethylphospholan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)pentanamide;yttrium (PubChem CID 158659202) has the molecular formula C20H33NO2PY+ and a molecular weight of 439.37 g/mol. Its IUPAC name is 2-(1-ethylphospholan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)pentanamide;yttrium.

Molecular Properties

Compound Name2-(1-ethylphospholan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)pentanamide;yttrium
PubChem CID158659202
Molecular FormulaC20H33NO2PY+
Molecular Weight439.37 g/mol
Exact Mass439.13
IUPAC Name2-(1-ethylphospholan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)pentanamide;yttrium
SMILESCCCC(C(=O)Nc1c(C)cc(OC)cc1C)[P+]1(CC)CCCC1.[Y]
InChIInChI=1S/C20H32NO2P.Y/c1-6-10-18(24(7-2)11-8-9-12-24)20(22)21-19-15(3)13-17(23-5)14-16(19)4;/h13-14,18H,6-12H2,1-5H3;/p+1
InChIKeyKQXWKIIHLCBKIP-UHFFFAOYSA-O
XLogP5.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.37
LogP ≤ 55.25
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

2-(1-ethylphosphepan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)butanamide
CID 158002068
2-(1-ethylphosphinan-1-ium-1-yl)-N-(4-isocyano-2,6-dimethylphenyl)pentanamide
CID 159774782
N-(2,6-dimethylphenyl)-2-(1-ethylphosphepan-1-ium-1-yl)butanamide;yttrium
CID 161486197
N-(2,6-dimethylphenyl)-2-(1-ethylphosphinan-1-ium-1-yl)butanamide
CID 159859774
[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]-dimethyl-sulfidoazanium
CID 155692450
triethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]azanium
CID 160866649
ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium
CID 160551693
N-(4-methoxy-2,6-dimethylphenyl)butanamide
CID 155118629
N-(4-methoxy-2,6-dimethylphenyl)-2-(1-methylphospholan-1-ium-1-yl)acetamide
CID 156737700
ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]-methyl-propylazanium
CID 155693210
2-(1-ethylazepan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide;yttrium
CID 161000535
2-propyl-N-(2,4,6-trimethylphenyl)pentanamide
CID 11841490

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylphospholan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)pentanamide;yttrium?
The IUPAC name of 2-(1-ethylphospholan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)pentanamide;yttrium (CID 158659202) is 2-(1-ethylphospholan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)pentanamide;yttrium.
What is the SMILES notation for 2-(1-ethylphospholan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)pentanamide;yttrium?
The canonical SMILES for 2-(1-ethylphospholan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)pentanamide;yttrium is CCCC(C(=O)Nc1c(C)cc(OC)cc1C)[P+]1(CC)CCCC1.[Y].
What is the InChIKey of 2-(1-ethylphospholan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)pentanamide;yttrium?
The InChIKey is KQXWKIIHLCBKIP-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H32NO2P.Y/c1-6-10-18(24(7-2)11-8-9-12-24)20(22)21-19-15(3)13-17(23-5)14-16(19)4;/h13-14,18H,6-12H2,1-5H3;/p+1.
What are the key properties of 2-(1-ethylphospholan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)pentanamide;yttrium?
2-(1-ethylphospholan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)pentanamide;yttrium has a molecular weight of 439.37 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylphospholan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)pentanamide;yttrium is sourced from PubChem (CID 158659202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).