N-(2,6-dimethylphenyl)-2-(2-propanoylphenoxy)acetamide

C19H21NO3 — CID 2336261

IUPACN-(2,6-dimethylphenyl)-2-(2-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccccc1OCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C19H21NO3/c1-4-16(21)15-10-5-6-11-17(15)23-12-18(22)20-19-13(2)8-7-9-14(19)3/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyYTIJOOYFAIEBHO-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.91
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-(2-propanoylphenoxy)acetamide

N-(2,6-dimethylphenyl)-2-(2-propanoylphenoxy)acetamide (PubChem CID 2336261) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(2-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(2-propanoylphenoxy)acetamide
PubChem CID2336261
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(2,6-dimethylphenyl)-2-(2-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccccc1OCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C19H21NO3/c1-4-16(21)15-10-5-6-11-17(15)23-12-18(22)20-19-13(2)8-7-9-14(19)3/h5-11H,4,12H2,1-3H3,(H,20,22)
InChIKeyYTIJOOYFAIEBHO-UHFFFAOYSA-N
XLogP3.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(2-propanoylphenoxy)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(2-propanoylphenoxy)acetamide (CID 2336261) is N-(2,6-dimethylphenyl)-2-(2-propanoylphenoxy)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(2-propanoylphenoxy)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(2-propanoylphenoxy)acetamide is CCC(=O)c1ccccc1OCC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(2-propanoylphenoxy)acetamide?
The InChIKey is YTIJOOYFAIEBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-4-16(21)15-10-5-6-11-17(15)23-12-18(22)20-19-13(2)8-7-9-14(19)3/h5-11H,4,12H2,1-3H3,(H,20,22).
What are the key properties of N-(2,6-dimethylphenyl)-2-(2-propanoylphenoxy)acetamide?
N-(2,6-dimethylphenyl)-2-(2-propanoylphenoxy)acetamide has a molecular weight of 311.38 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(2-propanoylphenoxy)acetamide is sourced from PubChem (CID 2336261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).