2-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone

C21H25NO2 — CID 50747299

IUPAC2-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCCC2c2ccc(C)cc2)cc1
InChIInChI=1S/C21H25NO2/c1-3-24-19-12-8-17(9-13-19)15-21(23)22-14-4-5-20(22)18-10-6-16(2)7-11-18/h6-13,20H,3-5,14-15H2,1-2H3
InChIKeyYREBHTQJFWNLQM-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.30
Rot. Bonds5

About 2-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone

2-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 50747299) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone
PubChem CID50747299
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name2-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCCC2c2ccc(C)cc2)cc1
InChIInChI=1S/C21H25NO2/c1-3-24-19-12-8-17(9-13-19)15-21(23)22-14-4-5-20(22)18-10-6-16(2)7-11-18/h6-13,20H,3-5,14-15H2,1-2H3
InChIKeyYREBHTQJFWNLQM-UHFFFAOYSA-N
XLogP4.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone (CID 50747299) is 2-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone is CCOc1ccc(CC(=O)N2CCCC2c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is YREBHTQJFWNLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-3-24-19-12-8-17(9-13-19)15-21(23)22-14-4-5-20(22)18-10-6-16(2)7-11-18/h6-13,20H,3-5,14-15H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone?
2-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 323.44 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-[2-(4-methylphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 50747299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).