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

C21H27NO3 — CID 19166514

IUPAC2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
SMILESCCCCCOc1ccc(NC(=O)COc2ccc(C)cc2C)cc1
InChIInChI=1S/C21H27NO3/c1-4-5-6-13-24-19-10-8-18(9-11-19)22-21(23)15-25-20-12-7-16(2)14-17(20)3/h7-12,14H,4-6,13,15H2,1-3H3,(H,22,23)
InChIKeyKHWXWHASMFBTHS-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.89
Rot. Bonds9

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

2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide (PubChem CID 19166514) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
PubChem CID19166514
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
SMILESCCCCCOc1ccc(NC(=O)COc2ccc(C)cc2C)cc1
InChIInChI=1S/C21H27NO3/c1-4-5-6-13-24-19-10-8-18(9-11-19)22-21(23)15-25-20-12-7-16(2)14-17(20)3/h7-12,14H,4-6,13,15H2,1-3H3,(H,22,23)
InChIKeyKHWXWHASMFBTHS-UHFFFAOYSA-N
XLogP4.89
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 ≤ 54.89
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-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728
methyl 2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 894367
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide
CID 19175449
2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4943007
2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 26239246
2-(2-bromo-4-methylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 17138101
N-butyl-2-(2,4-dimethylphenoxy)acetamide
CID 17142931
2-(4-bromo-2-tert-butylphenoxy)-N-(4-hexoxyphenyl)acetamide
CID 17051658
hexyl 4-[4-(2,4-dimethylphenoxy)butanoylamino]benzoate
CID 19177713
N-(6-butoxy-1,3-benzothiazol-2-yl)-2-(2,4-dimethylphenoxy)acetamide
CID 19218142
N-[4-(2-amino-2-oxoethoxy)phenyl]-3-(2,4-dimethylphenoxy)propanamide
CID 39860915
N-(3-heptoxyphenyl)-2-(2-methylphenoxy)acetamide
CID 17138095

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide (CID 19166514) is 2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide is CCCCCOc1ccc(NC(=O)COc2ccc(C)cc2C)cc1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide?
The InChIKey is KHWXWHASMFBTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-4-5-6-13-24-19-10-8-18(9-11-19)22-21(23)15-25-20-12-7-16(2)14-17(20)3/h7-12,14H,4-6,13,15H2,1-3H3,(H,22,23).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide?
2-(2,4-dimethylphenoxy)-N-(4-pentoxyphenyl)acetamide has a molecular weight of 341.45 g/mol, XLogP of 4.89, 9 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-(4-pentoxyphenyl)acetamide is sourced from PubChem (CID 19166514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).