2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide

C15H23N2O3+ — CID 4694933

IUPAC2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
SMILESCc1ccc(OCC(=O)NCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C15H22N2O3/c1-13-2-4-14(5-3-13)20-12-15(18)16-6-7-17-8-10-19-11-9-17/h2-5H,6-12H2,1H3,(H,16,18)/p+1
InChIKeyGIOUPAZLSGXRBH-UHFFFAOYSA-O
MW279.36 g/mol
LogP-0.59
Rot. Bonds6

About 2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide

2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide (PubChem CID 4694933) has the molecular formula C15H23N2O3+ and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
PubChem CID4694933
Molecular FormulaC15H23N2O3+
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
SMILESCc1ccc(OCC(=O)NCC[NH+]2CCOCC2)cc1
InChIInChI=1S/C15H22N2O3/c1-13-2-4-14(5-3-13)20-12-15(18)16-6-7-17-8-10-19-11-9-17/h2-5H,6-12H2,1H3,(H,16,18)/p+1
InChIKeyGIOUPAZLSGXRBH-UHFFFAOYSA-O
XLogP-0.59
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-morpholin-4-ium-4-ylethyl)-2-(4-phenylphenoxy)acetamide
CID 7746055
N-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 7371488
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 7457741
2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
CID 4920014
N-[(4-methyloxan-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 71686917
N-(3-morpholin-4-ium-4-ylpropyl)-2-(2,3,5-trimethylphenoxy)acetamide
CID 2184720
N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 7633718
N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide
CID 110292109
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ium-4-ylethyl]-2-(4-methylphenoxy)acetamide
CID 7496943
2-(4-tert-butylphenoxy)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
CID 9481262
N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119405354
N-(2-azidoethyl)-2-(4-methylphenoxy)acetamide
CID 95936669

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide (CID 4694933) is 2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide is Cc1ccc(OCC(=O)NCC[NH+]2CCOCC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The InChIKey is GIOUPAZLSGXRBH-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22N2O3/c1-13-2-4-14(5-3-13)20-12-15(18)16-6-7-17-8-10-19-11-9-17/h2-5H,6-12H2,1H3,(H,16,18)/p+1.
What are the key properties of 2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide has a molecular weight of 279.36 g/mol, XLogP of -0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide is sourced from PubChem (CID 4694933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).