ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]-methyl-propylazanium

C20H35N2O2+ — CID 155693210

IUPACethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]-methyl-propylazanium
SMILESCCCC(C(=O)Nc1c(C)cc(OC)cc1C)[N+](C)(CC)CCC
InChIInChI=1S/C20H34N2O2/c1-8-11-18(22(6,10-3)12-9-2)20(23)21-19-15(4)13-17(24-7)14-16(19)5/h13-14,18H,8-12H2,1-7H3/p+1
InChIKeyXIRHWRIFEQCQIX-UHFFFAOYSA-O
MW335.51 g/mol
LogP4.30
Rot. Bonds9

About ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]-methyl-propylazanium

ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]-methyl-propylazanium (PubChem CID 155693210) has the molecular formula C20H35N2O2+ and a molecular weight of 335.51 g/mol. Its IUPAC name is ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]-methyl-propylazanium.

Molecular Properties

Compound Nameethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]-methyl-propylazanium
PubChem CID155693210
Molecular FormulaC20H35N2O2+
Molecular Weight335.51 g/mol
Exact Mass335.27
IUPAC Nameethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]-methyl-propylazanium
SMILESCCCC(C(=O)Nc1c(C)cc(OC)cc1C)[N+](C)(CC)CCC
InChIInChI=1S/C20H34N2O2/c1-8-11-18(22(6,10-3)12-9-2)20(23)21-19-15(4)13-17(24-7)14-16(19)5/h13-14,18H,8-12H2,1-7H3/p+1
InChIKeyXIRHWRIFEQCQIX-UHFFFAOYSA-O
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.51
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

[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
N-(4-methoxy-2,6-dimethylphenyl)butanamide
CID 155118629
2-(1-ethylphospholan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)pentanamide;yttrium
CID 158659202
ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium
CID 160551693
[1-(4-cyano-2,6-dimethylanilino)-1-oxopentan-2-yl]-triethylazanium
CID 158588528
N-(4-methoxy-2,6-dimethylphenyl)acetamide
CID 5268765
tributyl-[2-(4-methoxy-2,6-dimethylanilino)-2-oxoethyl]phosphanium;yttrium
CID 157204933
diethyl-[1-(2-methoxycarbonyl-4,6-dimethylanilino)-1-oxobutan-2-yl]-methylazanium
CID 155693040
2-(1-ethylpiperidin-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide
CID 160537356
2-(1-ethylazepan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide;yttrium
CID 161000535
ethyl 2-[2-(dimethylamino)pentanoylamino]-5-methoxy-3-methylbenzoate;yttrium
CID 155692910

Frequently Asked Questions

What is the IUPAC name of ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]-methyl-propylazanium?
The IUPAC name of ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]-methyl-propylazanium (CID 155693210) is ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]-methyl-propylazanium.
What is the SMILES notation for ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]-methyl-propylazanium?
The canonical SMILES for ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]-methyl-propylazanium is CCCC(C(=O)Nc1c(C)cc(OC)cc1C)[N+](C)(CC)CCC.
What is the InChIKey of ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]-methyl-propylazanium?
The InChIKey is XIRHWRIFEQCQIX-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H34N2O2/c1-8-11-18(22(6,10-3)12-9-2)20(23)21-19-15(4)13-17(24-7)14-16(19)5/h13-14,18H,8-12H2,1-7H3/p+1.
What are the key properties of ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]-methyl-propylazanium?
ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxopentan-2-yl]-methyl-propylazanium has a molecular weight of 335.51 g/mol, XLogP of 4.30, 9 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-oxopentan-2-yl]-methyl-propylazanium is sourced from PubChem (CID 155693210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).