2-(2-methoxy-4-methylphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide

C15H21NO4 — CID 78956644

IUPAC2-(2-methoxy-4-methylphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NCC1(C)COC1
InChIInChI=1S/C15H21NO4/c1-11-4-5-12(13(6-11)18-3)20-7-14(17)16-8-15(2)9-19-10-15/h4-6H,7-10H2,1-3H3,(H,16,17)
InChIKeyRJGRABDUMBSXKN-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.54
Rot. Bonds6

About 2-(2-methoxy-4-methylphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide

2-(2-methoxy-4-methylphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide (PubChem CID 78956644) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide
PubChem CID78956644
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(2-methoxy-4-methylphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NCC1(C)COC1
InChIInChI=1S/C15H21NO4/c1-11-4-5-12(13(6-11)18-3)20-7-14(17)16-8-15(2)9-19-10-15/h4-6H,7-10H2,1-3H3,(H,16,17)
InChIKeyRJGRABDUMBSXKN-UHFFFAOYSA-N
XLogP1.54
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-4-methylphenoxy)-N-[[(2R)-2-methyloxolan-2-yl]methyl]acetamide
CID 95975822
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]acetamide
CID 60666680
N-cyclopropyl-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]acetamide
CID 18163671
N-[2-(1-adamantyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35011100
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 7919164
2-(2-methoxy-4-methylphenoxy)-N-[(E)-pent-3-enyl]acetamide
CID 115628343
2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793667
2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699567
1-(2-methoxy-5-methylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957307
N-(3-hydroxy-4-methoxybutyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 103876701
4-[2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]ethyl]benzoic acid
CID 45347313

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide (CID 78956644) is 2-(2-methoxy-4-methylphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide is COc1cc(C)ccc1OCC(=O)NCC1(C)COC1.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide?
The InChIKey is RJGRABDUMBSXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11-4-5-12(13(6-11)18-3)20-7-14(17)16-8-15(2)9-19-10-15/h4-6H,7-10H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide?
2-(2-methoxy-4-methylphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-N-[(3-methyloxetan-3-yl)methyl]acetamide is sourced from PubChem (CID 78956644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).