2-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide

C13H19NO3 — CID 2177231

IUPAC2-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(C)cc1C
InChIInChI=1S/C13H19NO3/c1-10-4-5-12(11(2)8-10)17-9-13(15)14-6-7-16-3/h4-5,8H,6-7,9H2,1-3H3,(H,14,15)
InChIKeyBLCDCARGJUGEPG-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.44
Rot. Bonds6

About 2-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide

2-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide (PubChem CID 2177231) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
PubChem CID2177231
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COc1ccc(C)cc1C
InChIInChI=1S/C13H19NO3/c1-10-4-5-12(11(2)8-10)17-9-13(15)14-6-7-16-3/h4-5,8H,6-7,9H2,1-3H3,(H,14,15)
InChIKeyBLCDCARGJUGEPG-UHFFFAOYSA-N
XLogP1.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 2789933
2-(2-cyanophenoxy)-N-(propan-2-yl)acetamide
CID 2565339
4,5-dihydro-1,4-benzoxazepin-3(2H)-one
CID 919801
Morpholine, 4-((2,4-dimethylphenoxy)acetyl)-
CID 876380
Morpholine, 1-((2,5-dimethylphenoxy)acetyl)-
CID 920934
2-(4-ethylphenoxy)-N-(2-phenylethyl)acetamide
CID 673837
N-(2-Methoxy-benzyl)-2-p-tolyloxy-acetamide
CID 684085
2-(2,4-dimethylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 753654
N-cyclopentyl-2-(4-propan-2-ylphenoxy)acetamide
CID 798624
2-[4-(benzyloxy)phenoxy]-N-ethylacetamide
CID 1257662
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2344647
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)propanamide
CID 2977623

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide (CID 2177231) is 2-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide is COCCNC(=O)COc1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide?
The InChIKey is BLCDCARGJUGEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10-4-5-12(11(2)8-10)17-9-13(15)14-6-7-16-3/h4-5,8H,6-7,9H2,1-3H3,(H,14,15).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide?
2-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide has a molecular weight of 237.30 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 2177231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).