2-(4-tert-butylphenoxy)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide

C24H33N2O3+ — CID 9481262

IUPAC2-(4-tert-butylphenoxy)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1
InChIInChI=1S/C24H32N2O3/c1-24(2,3)21-8-10-22(11-9-21)29-18-23(27)25-16-19-6-4-5-7-20(19)17-26-12-14-28-15-13-26/h4-11H,12-18H2,1-3H3,(H,25,27)/p+1
InChIKeyICYMRKJJMYCYJV-UHFFFAOYSA-O
MW397.54 g/mol
LogP2.09
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide

2-(4-tert-butylphenoxy)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide (PubChem CID 9481262) has the molecular formula C24H33N2O3+ and a molecular weight of 397.54 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
PubChem CID9481262
Molecular FormulaC24H33N2O3+
Molecular Weight397.54 g/mol
Exact Mass397.25
IUPAC Name2-(4-tert-butylphenoxy)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1
InChIInChI=1S/C24H32N2O3/c1-24(2,3)21-8-10-22(11-9-21)29-18-23(27)25-16-19-6-4-5-7-20(19)17-26-12-14-28-15-13-26/h4-11H,12-18H2,1-3H3,(H,25,27)/p+1
InChIKeyICYMRKJJMYCYJV-UHFFFAOYSA-O
XLogP2.09
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-tert-butylphenoxy)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-phenoxy-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8810686
2-(2,4-dimethoxyphenyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide
CID 9481630
2-(3,4-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 9142635
N-(2-morpholin-4-ium-4-ylethyl)-2-(4-phenylphenoxy)acetamide
CID 7746055
2-(4-methylphenoxy)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 4694933
N-[(2-morpholin-4-ylphenyl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 86859322
2-(3-bromophenoxy)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8968862
N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 9209104
4-(2-methylpropyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzamide
CID 9481472
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide
CID 51207835
2-(4-tert-butylphenoxy)-N-(trimethylsilylmethyl)acetamide
CID 58856613
2-(4-tert-butylphenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 27761157

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide (CID 9481262) is 2-(4-tert-butylphenoxy)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide is CC(C)(C)c1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is ICYMRKJJMYCYJV-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H32N2O3/c1-24(2,3)21-8-10-22(11-9-21)29-18-23(27)25-16-19-6-4-5-7-20(19)17-26-12-14-28-15-13-26/h4-11H,12-18H2,1-3H3,(H,25,27)/p+1.
What are the key properties of 2-(4-tert-butylphenoxy)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide?
2-(4-tert-butylphenoxy)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 397.54 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 9481262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).