N-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide

C15H23N2O2+ — CID 6951792

IUPACN-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
SMILESCCc1cccc(C)c1NC(=O)C[NH+]1CCOCC1
InChIInChI=1S/C15H22N2O2/c1-3-13-6-4-5-12(2)15(13)16-14(18)11-17-7-9-19-10-8-17/h4-6H,3,7-11H2,1-2H3,(H,16,18)/p+1
InChIKeyMTBABWTYVVVYLD-UHFFFAOYSA-O
MW263.36 g/mol
LogP0.41
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide

N-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide (PubChem CID 6951792) has the molecular formula C15H23N2O2+ and a molecular weight of 263.36 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
PubChem CID6951792
Molecular FormulaC15H23N2O2+
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
SMILESCCc1cccc(C)c1NC(=O)C[NH+]1CCOCC1
InChIInChI=1S/C15H22N2O2/c1-3-13-6-4-5-12(2)15(13)16-14(18)11-17-7-9-19-10-8-17/h4-6H,3,7-11H2,1-2H3,(H,16,18)/p+1
InChIKeyMTBABWTYVVVYLD-UHFFFAOYSA-O
XLogP0.41
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-fluorophenyl)acetamide
CID 9435957
N-(2-chlorophenyl)-2-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9434312
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9261814
2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 8904622
2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2655625
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2656293
N-(2-methylnaphthalen-1-yl)-2-morpholin-4-ium-4-ylacetamide
CID 6951819
2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9126768
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate
CID 7768834
2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8760344
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-methylphenyl)acetamide
CID 9435717

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide (CID 6951792) is N-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide is CCc1cccc(C)c1NC(=O)C[NH+]1CCOCC1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is MTBABWTYVVVYLD-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22N2O2/c1-3-13-6-4-5-12(2)15(13)16-14(18)11-17-7-9-19-10-8-17/h4-6H,3,7-11H2,1-2H3,(H,16,18)/p+1.
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide?
N-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 263.36 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 6951792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).