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

C20H25N2O3+ — CID 7746055

IUPACN-(2-morpholin-4-ium-4-ylethyl)-2-(4-phenylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)NCC[NH+]1CCOCC1
InChIInChI=1S/C20H24N2O3/c23-20(21-10-11-22-12-14-24-15-13-22)16-25-19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-9H,10-16H2,(H,21,23)/p+1
InChIKeyYQEGJISAHAAOCK-UHFFFAOYSA-O
MW341.43 g/mol
LogP0.76
Rot. Bonds7

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

N-(2-morpholin-4-ium-4-ylethyl)-2-(4-phenylphenoxy)acetamide (PubChem CID 7746055) has the molecular formula C20H25N2O3+ and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(2-morpholin-4-ium-4-ylethyl)-2-(4-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ium-4-ylethyl)-2-(4-phenylphenoxy)acetamide
PubChem CID7746055
Molecular FormulaC20H25N2O3+
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-(2-morpholin-4-ium-4-ylethyl)-2-(4-phenylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)NCC[NH+]1CCOCC1
InChIInChI=1S/C20H24N2O3/c23-20(21-10-11-22-12-14-24-15-13-22)16-25-19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-9H,10-16H2,(H,21,23)/p+1
InChIKeyYQEGJISAHAAOCK-UHFFFAOYSA-O
XLogP0.76
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 4694933
N-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 7371488
N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 7633718
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 7457741
N-(2-morpholin-4-ium-4-ylethyl)-3,3-diphenylpropanamide
CID 6919320
2-(4-fluorophenoxy)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
CID 4920014
2-(4-tert-butylphenoxy)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
CID 9481262
2-[[2-(4-phenylphenoxy)acetyl]amino]-N-propylacetamide
CID 9163146
diethyl-[2-[[2-(4-phenylphenoxy)acetyl]amino]ethyl]azanium
CID 6998960
N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-4-phenylbenzamide
CID 108538441
N'-acetyl-2-(4-phenylphenoxy)acetohydrazide
CID 3274977
N-carbamoyl-2-(4-phenylphenoxy)acetamide
CID 7868557

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ium-4-ylethyl)-2-(4-phenylphenoxy)acetamide?
The IUPAC name of N-(2-morpholin-4-ium-4-ylethyl)-2-(4-phenylphenoxy)acetamide (CID 7746055) is N-(2-morpholin-4-ium-4-ylethyl)-2-(4-phenylphenoxy)acetamide.
What is the SMILES notation for N-(2-morpholin-4-ium-4-ylethyl)-2-(4-phenylphenoxy)acetamide?
The canonical SMILES for N-(2-morpholin-4-ium-4-ylethyl)-2-(4-phenylphenoxy)acetamide is O=C(COc1ccc(-c2ccccc2)cc1)NCC[NH+]1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ium-4-ylethyl)-2-(4-phenylphenoxy)acetamide?
The InChIKey is YQEGJISAHAAOCK-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24N2O3/c23-20(21-10-11-22-12-14-24-15-13-22)16-25-19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-9H,10-16H2,(H,21,23)/p+1.
What are the key properties of N-(2-morpholin-4-ium-4-ylethyl)-2-(4-phenylphenoxy)acetamide?
N-(2-morpholin-4-ium-4-ylethyl)-2-(4-phenylphenoxy)acetamide has a molecular weight of 341.43 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ium-4-ylethyl)-2-(4-phenylphenoxy)acetamide is sourced from PubChem (CID 7746055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).