2-(2,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide

C15H21NO3 — CID 2789933

IUPAC2-(2,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)NCC2CCCO2)c(C)c1
InChIInChI=1S/C15H21NO3/c1-11-5-6-14(12(2)8-11)19-10-15(17)16-9-13-4-3-7-18-13/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,16,17)
InChIKeyVGRFBLCYWKSPSO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.98
Rot. Bonds5

About 2-(2,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide

2-(2,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2789933) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2789933
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(2,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1ccc(OCC(=O)NCC2CCCO2)c(C)c1
InChIInChI=1S/C15H21NO3/c1-11-5-6-14(12(2)8-11)19-10-15(17)16-9-13-4-3-7-18-13/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,16,17)
InChIKeyVGRFBLCYWKSPSO-UHFFFAOYSA-N
XLogP1.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide (CID 2789933) is 2-(2,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide is Cc1ccc(OCC(=O)NCC2CCCO2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is VGRFBLCYWKSPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-5-6-14(12(2)8-11)19-10-15(17)16-9-13-4-3-7-18-13/h5-6,8,13H,3-4,7,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide?
2-(2,4-dimethylphenoxy)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 1.98, 5 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-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2789933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).