2-(2-benzylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide

C25H26N2O2 — CID 7492222

IUPAC2-(2-benzylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(COc1ccccc1Cc1ccccc1)Nc1ccccc1N1CCCC1
InChIInChI=1S/C25H26N2O2/c28-25(26-22-13-5-6-14-23(22)27-16-8-9-17-27)19-29-24-15-7-4-12-21(24)18-20-10-2-1-3-11-20/h1-7,10-15H,8-9,16-19H2,(H,26,28)
InChIKeyKMXQQNKMKQMCNQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.90
Rot. Bonds7

About 2-(2-benzylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide

2-(2-benzylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 7492222) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
PubChem CID7492222
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name2-(2-benzylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(COc1ccccc1Cc1ccccc1)Nc1ccccc1N1CCCC1
InChIInChI=1S/C25H26N2O2/c28-25(26-22-13-5-6-14-23(22)27-16-8-9-17-27)19-29-24-15-7-4-12-21(24)18-20-10-2-1-3-11-20/h1-7,10-15H,8-9,16-19H2,(H,26,28)
InChIKeyKMXQQNKMKQMCNQ-UHFFFAOYSA-N
XLogP4.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(2-benzylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide (CID 7492222) is 2-(2-benzylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(2-benzylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide is O=C(COc1ccccc1Cc1ccccc1)Nc1ccccc1N1CCCC1.
What is the InChIKey of 2-(2-benzylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is KMXQQNKMKQMCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c28-25(26-22-13-5-6-14-23(22)27-16-8-9-17-27)19-29-24-15-7-4-12-21(24)18-20-10-2-1-3-11-20/h1-7,10-15H,8-9,16-19H2,(H,26,28).
What are the key properties of 2-(2-benzylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide?
2-(2-benzylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 386.50 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 7492222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).