2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C18H29N2O2+ — CID 2653132

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)C[NH+]1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C18H28N2O2/c1-12(2)16-8-6-7-13(3)18(16)19-17(21)11-20-9-14(4)22-15(5)10-20/h6-8,12,14-15H,9-11H2,1-5H3,(H,19,21)/p+1/t14-,15+
InChIKeyGNLSBPLMFFANHK-GASCZTMLSA-O
MW305.44 g/mol
LogP1.75
Rot. Bonds4

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 2653132) has the molecular formula C18H29N2O2+ and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID2653132
Molecular FormulaC18H29N2O2+
Molecular Weight305.44 g/mol
Exact Mass305.22
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)C[NH+]1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C18H28N2O2/c1-12(2)16-8-6-7-13(3)18(16)19-17(21)11-20-9-14(4)22-15(5)10-20/h6-8,12,14-15H,9-11H2,1-5H3,(H,19,21)/p+1/t14-,15+
InChIKeyGNLSBPLMFFANHK-GASCZTMLSA-O
XLogP1.75
TPSA42.77 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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide with MolForge

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Related Compounds

2-(4-methylpiperidin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2655039
N-(2-methyl-6-propan-2-ylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 2652799
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8931075
2-[[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 8899231
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9258677
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2654094
N-(2-methyl-6-propan-2-ylphenyl)-3-methylsulfanylpropanamide
CID 112789085
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
3-amino-N-(2-methyl-6-propan-2-ylphenyl)-3-sulfanylidenepropanamide
CID 28942450
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8930637

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 2653132) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1cccc(C(C)C)c1NC(=O)C[NH+]1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is GNLSBPLMFFANHK-GASCZTMLSA-O. The full InChI is InChI=1S/C18H28N2O2/c1-12(2)16-8-6-7-13(3)18(16)19-17(21)11-20-9-14(4)22-15(5)10-20/h6-8,12,14-15H,9-11H2,1-5H3,(H,19,21)/p+1/t14-,15+.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 305.44 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 2653132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).