2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide

C18H21NO3 — CID 4943007

IUPAC2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)COc2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO3/c1-3-12-21-16-10-6-15(7-11-16)19-18(20)13-22-17-8-4-14(2)5-9-17/h4-11H,3,12-13H2,1-2H3,(H,19,20)
InChIKeyWJTFNMFGMKJJJT-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.80
Rot. Bonds7

About 2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide

2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide (PubChem CID 4943007) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide
PubChem CID4943007
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NC(=O)COc2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO3/c1-3-12-21-16-10-6-15(7-11-16)19-18(20)13-22-17-8-4-14(2)5-9-17/h4-11H,3,12-13H2,1-2H3,(H,19,20)
InChIKeyWJTFNMFGMKJJJT-UHFFFAOYSA-N
XLogP3.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide (CID 4943007) is 2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide is CCCOc1ccc(NC(=O)COc2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide?
The InChIKey is WJTFNMFGMKJJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-12-21-16-10-6-15(7-11-16)19-18(20)13-22-17-8-4-14(2)5-9-17/h4-11H,3,12-13H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide?
2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide is sourced from PubChem (CID 4943007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).