2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C20H24N2O2 — CID 960705

IUPAC2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C20H24N2O2/c1-15-11-16(2)13-19(12-15)24-14-20(23)21-17-5-7-18(8-6-17)22-9-3-4-10-22/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,21,23)
InChIKeyRCLFLJSSFWROMF-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.92
Rot. Bonds5

About 2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 960705) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID960705
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C20H24N2O2/c1-15-11-16(2)13-19(12-15)24-14-20(23)21-17-5-7-18(8-6-17)22-9-3-4-10-22/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,21,23)
InChIKeyRCLFLJSSFWROMF-UHFFFAOYSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 960705) is 2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide is Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is RCLFLJSSFWROMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-11-16(2)13-19(12-15)24-14-20(23)21-17-5-7-18(8-6-17)22-9-3-4-10-22/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,21,23).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 324.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 960705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).