N-(2,6-diethylphenyl)-2-(2-propoxyphenoxy)acetamide

C21H27NO3 — CID 78767853

IUPACN-(2,6-diethylphenyl)-2-(2-propoxyphenoxy)acetamide
SMILESCCCOc1ccccc1OCC(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C21H27NO3/c1-4-14-24-18-12-7-8-13-19(18)25-15-20(23)22-21-16(5-2)10-9-11-17(21)6-3/h7-13H,4-6,14-15H2,1-3H3,(H,22,23)
InChIKeyXKRNJWOPYLJPRG-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.62
Rot. Bonds9

About N-(2,6-diethylphenyl)-2-(2-propoxyphenoxy)acetamide

N-(2,6-diethylphenyl)-2-(2-propoxyphenoxy)acetamide (PubChem CID 78767853) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(2-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(2-propoxyphenoxy)acetamide
PubChem CID78767853
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-(2,6-diethylphenyl)-2-(2-propoxyphenoxy)acetamide
SMILESCCCOc1ccccc1OCC(=O)Nc1c(CC)cccc1CC
InChIInChI=1S/C21H27NO3/c1-4-14-24-18-12-7-8-13-19(18)25-15-20(23)22-21-16(5-2)10-9-11-17(21)6-3/h7-13H,4-6,14-15H2,1-3H3,(H,22,23)
InChIKeyXKRNJWOPYLJPRG-UHFFFAOYSA-N
XLogP4.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-2-(2-propoxyphenoxy)acetamide
CID 7750885
N-(2-ethyl-6-methylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 717648
N-(2,6-dimethylphenyl)-2-(2-ethylphenoxy)acetamide
CID 19175719
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 7767828
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7847332
2-[2-(2,6-diethylanilino)-2-oxoethoxy]-3-methoxybenzamide
CID 46796577
N-(2,6-diethylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 7467725
N-(5-chloro-2-pyridinyl)-2-(2-propoxyphenoxy)acetamide
CID 34135754
N-(3-methylbutan-2-yl)-2-(2-propoxyphenoxy)acetamide
CID 78767914
2-(3-acetamidophenoxy)-N-(2,6-diethylphenyl)acetamide
CID 7697860
N-(4,5-dimethoxy-2-methylphenyl)-2-(2-propoxyphenoxy)acetamide
CID 7751061
N-(1,3-benzodioxol-5-yl)-2-(2-propoxyphenoxy)acetamide
CID 7730837

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(2-propoxyphenoxy)acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(2-propoxyphenoxy)acetamide (CID 78767853) is N-(2,6-diethylphenyl)-2-(2-propoxyphenoxy)acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(2-propoxyphenoxy)acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(2-propoxyphenoxy)acetamide is CCCOc1ccccc1OCC(=O)Nc1c(CC)cccc1CC.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(2-propoxyphenoxy)acetamide?
The InChIKey is XKRNJWOPYLJPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-4-14-24-18-12-7-8-13-19(18)25-15-20(23)22-21-16(5-2)10-9-11-17(21)6-3/h7-13H,4-6,14-15H2,1-3H3,(H,22,23).
What are the key properties of N-(2,6-diethylphenyl)-2-(2-propoxyphenoxy)acetamide?
N-(2,6-diethylphenyl)-2-(2-propoxyphenoxy)acetamide has a molecular weight of 341.45 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(2-propoxyphenoxy)acetamide is sourced from PubChem (CID 78767853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).