2-(2-ethylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

C21H26N2O2 — CID 4853066

IUPAC2-(2-ethylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCc1ccccc1OCC(=O)Nc1ccc(N2CCCC2)cc1C
InChIInChI=1S/C21H26N2O2/c1-3-17-8-4-5-9-20(17)25-15-21(24)22-19-11-10-18(14-16(19)2)23-12-6-7-13-23/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,22,24)
InChIKeyBWVQJXWDZCDJJJ-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.18
Rot. Bonds6

About 2-(2-ethylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

2-(2-ethylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 4853066) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID4853066
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(2-ethylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCc1ccccc1OCC(=O)Nc1ccc(N2CCCC2)cc1C
InChIInChI=1S/C21H26N2O2/c1-3-17-8-4-5-9-20(17)25-15-21(24)22-19-11-10-18(14-16(19)2)23-12-6-7-13-23/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,22,24)
InChIKeyBWVQJXWDZCDJJJ-UHFFFAOYSA-N
XLogP4.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.18
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-(2-ethylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(2-ethylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (CID 4853066) is 2-(2-ethylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-ethylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(2-ethylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is CCc1ccccc1OCC(=O)Nc1ccc(N2CCCC2)cc1C.
What is the InChIKey of 2-(2-ethylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is BWVQJXWDZCDJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-17-8-4-5-9-20(17)25-15-21(24)22-19-11-10-18(14-16(19)2)23-12-6-7-13-23/h4-5,8-11,14H,3,6-7,12-13,15H2,1-2H3,(H,22,24).
What are the key properties of 2-(2-ethylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
2-(2-ethylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 338.45 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 4853066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).