2-(1-ethylpiperidin-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide

C19H31N2O2+ — CID 160537356

IUPAC2-(1-ethylpiperidin-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide
SMILESCC[N+]1(C(C)C(=O)Nc2c(C)cc(OC)cc2C)CCCCC1
InChIInChI=1S/C19H30N2O2/c1-6-21(10-8-7-9-11-21)16(4)19(22)20-18-14(2)12-17(23-5)13-15(18)3/h12-13,16H,6-11H2,1-5H3/p+1
InChIKeyKGHGHDXRYHXCLI-UHFFFAOYSA-O
MW319.47 g/mol
LogP3.66
Rot. Bonds5

About 2-(1-ethylpiperidin-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide

2-(1-ethylpiperidin-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide (PubChem CID 160537356) has the molecular formula C19H31N2O2+ and a molecular weight of 319.47 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(1-ethylpiperidin-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide
PubChem CID160537356
Molecular FormulaC19H31N2O2+
Molecular Weight319.47 g/mol
Exact Mass319.24
IUPAC Name2-(1-ethylpiperidin-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide
SMILESCC[N+]1(C(C)C(=O)Nc2c(C)cc(OC)cc2C)CCCCC1
InChIInChI=1S/C19H30N2O2/c1-6-21(10-8-7-9-11-21)16(4)19(22)20-18-14(2)12-17(23-5)13-15(18)3/h12-13,16H,6-11H2,1-5H3/p+1
InChIKeyKGHGHDXRYHXCLI-UHFFFAOYSA-O
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.66
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

2-(1-ethylazepan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide;yttrium
CID 161000535
N-(4-chloro-2,6-dimethylphenyl)-2-(1-ethylazepan-1-ium-1-yl)propanamide
CID 159712870
N-(4-cyano-2,6-dimethylphenyl)-2-(1-ethylpyrrolidin-1-ium-1-yl)propanamide;yttrium
CID 162256206
2-(1-ethylpyrrolidin-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)butanamide;toluene;yttrium
CID 157178526
methyl 2-[2-(1-ethylpiperidin-1-ium-1-yl)propanoylamino]-3-methylbenzoate
CID 158612778
2-(1-ethylazepan-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)acetamide;yttrium
CID 158013703
1-(1-ethylpiperidin-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)cyclopropane-1-carboxamide;yttrium
CID 162140347
ethyl-[1-(4-methoxy-2,6-dimethylanilino)-1-oxobutan-2-yl]-dimethylphosphanium;yttrium
CID 160551693
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
N-(2,6-dimethylphenyl)-2-(1-ethyl-3-phenylpiperidin-1-ium-1-yl)propanamide
CID 155615643
methyl 2-[[2-(1-ethylpyrrolidin-1-ium-1-yl)acetyl]amino]-5-methoxy-3-methylbenzoate
CID 158369787

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide?
The IUPAC name of 2-(1-ethylpiperidin-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide (CID 160537356) is 2-(1-ethylpiperidin-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide.
What is the SMILES notation for 2-(1-ethylpiperidin-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide?
The canonical SMILES for 2-(1-ethylpiperidin-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide is CC[N+]1(C(C)C(=O)Nc2c(C)cc(OC)cc2C)CCCCC1.
What is the InChIKey of 2-(1-ethylpiperidin-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide?
The InChIKey is KGHGHDXRYHXCLI-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H30N2O2/c1-6-21(10-8-7-9-11-21)16(4)19(22)20-18-14(2)12-17(23-5)13-15(18)3/h12-13,16H,6-11H2,1-5H3/p+1.
What are the key properties of 2-(1-ethylpiperidin-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide?
2-(1-ethylpiperidin-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide has a molecular weight of 319.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-1-ium-1-yl)-N-(4-methoxy-2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 160537356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).