2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide

C18H29N2O3+ — CID 4085984

IUPAC2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
SMILESCOc1ccc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1
InChIInChI=1S/C18H28N2O3/c1-17(2)10-13(11-18(3,4)20-17)19-16(21)12-23-15-8-6-14(22-5)7-9-15/h6-9,13,20H,10-12H2,1-5H3,(H,19,21)/p+1
InChIKeyFVHRFKVYLCTNKI-UHFFFAOYSA-O
MW321.44 g/mol
LogP1.47
Rot. Bonds5

About 2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide

2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide (PubChem CID 4085984) has the molecular formula C18H29N2O3+ and a molecular weight of 321.44 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
PubChem CID4085984
Molecular FormulaC18H29N2O3+
Molecular Weight321.44 g/mol
Exact Mass321.22
IUPAC Name2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
SMILESCOc1ccc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1
InChIInChI=1S/C18H28N2O3/c1-17(2)10-13(11-18(3,4)20-17)19-16(21)12-23-15-8-6-14(22-5)7-9-15/h6-9,13,20H,10-12H2,1-5H3,(H,19,21)/p+1
InChIKeyFVHRFKVYLCTNKI-UHFFFAOYSA-O
XLogP1.47
TPSA64.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 748750
2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
CID 7286124
2-(4-methoxyphenoxy)-N-[[(1S,5R)-5-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3,3-trimethylcyclohexyl]methyl]acetamide
CID 25359572
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 7477102
2-(4-methoxyphenoxy)-N-[(1R,2R)-2-[[2-(4-methoxyphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1015196
N-(2-adamantyl)-2-(4-methoxyphenoxy)acetamide
CID 883714
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
2-(4-chlorophenyl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
CID 7236739
N-(3,3-dimethylcyclopentyl)-2-(4-ethylphenoxy)acetamide
CID 115880657
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
N-cyclohexyl-2-(4-iodophenoxy)acetamide
CID 1313853

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide (CID 4085984) is 2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide is COc1ccc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide?
The InChIKey is FVHRFKVYLCTNKI-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H28N2O3/c1-17(2)10-13(11-18(3,4)20-17)19-16(21)12-23-15-8-6-14(22-5)7-9-15/h6-9,13,20H,10-12H2,1-5H3,(H,19,21)/p+1.
What are the key properties of 2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide?
2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide has a molecular weight of 321.44 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide is sourced from PubChem (CID 4085984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).