2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide

C18H29N2O2+ — CID 7286124

IUPAC2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
SMILESCc1cccc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1
InChIInChI=1S/C18H28N2O2/c1-13-7-6-8-15(9-13)22-12-16(21)19-14-10-17(2,3)20-18(4,5)11-14/h6-9,14,20H,10-12H2,1-5H3,(H,19,21)/p+1
InChIKeyXLUQNZLXBPPCJH-UHFFFAOYSA-O
MW305.44 g/mol
LogP1.77
Rot. Bonds4

About 2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide

2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide (PubChem CID 7286124) has the molecular formula C18H29N2O2+ and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
PubChem CID7286124
Molecular FormulaC18H29N2O2+
Molecular Weight305.44 g/mol
Exact Mass305.22
IUPAC Name2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
SMILESCc1cccc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1
InChIInChI=1S/C18H28N2O2/c1-13-7-6-8-15(9-13)22-12-16(21)19-14-10-17(2,3)20-18(4,5)11-14/h6-9,14,20H,10-12H2,1-5H3,(H,19,21)/p+1
InChIKeyXLUQNZLXBPPCJH-UHFFFAOYSA-O
XLogP1.77
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
CID 4085984
N-(4-hydroxycyclohexyl)-2-(3-methylphenoxy)acetamide
CID 17453727
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
2-(3-methylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388822
N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 7477102
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
2-(3-methylphenoxy)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 110736737
N-(2,2,6,6-tetramethylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 35292688
N-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102238
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-(3-methylphenoxy)acetamide
CID 11920025
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[2-(cycloheptylamino)ethyl]-2-(3-methylphenoxy)acetamide
CID 119620665

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide (CID 7286124) is 2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide is Cc1cccc(OCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide?
The InChIKey is XLUQNZLXBPPCJH-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H28N2O2/c1-13-7-6-8-15(9-13)22-12-16(21)19-14-10-17(2,3)20-18(4,5)11-14/h6-9,14,20H,10-12H2,1-5H3,(H,19,21)/p+1.
What are the key properties of 2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide?
2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide has a molecular weight of 305.44 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide is sourced from PubChem (CID 7286124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).