2-(5-acetyl-2-methoxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone

C21H23NO3 — CID 42932877

IUPAC2-(5-acetyl-2-methoxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N1CCCC1c1ccccc1
InChIInChI=1S/C21H23NO3/c1-15(23)17-10-11-20(25-2)18(13-17)14-21(24)22-12-6-9-19(22)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,19H,6,9,12,14H2,1-2H3
InChIKeyJMFGHFARRQHMCQ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.80
Rot. Bonds5

About 2-(5-acetyl-2-methoxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone

2-(5-acetyl-2-methoxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone (PubChem CID 42932877) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(5-acetyl-2-methoxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(5-acetyl-2-methoxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone
PubChem CID42932877
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name2-(5-acetyl-2-methoxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone
SMILESCOc1ccc(C(C)=O)cc1CC(=O)N1CCCC1c1ccccc1
InChIInChI=1S/C21H23NO3/c1-15(23)17-10-11-20(25-2)18(13-17)14-21(24)22-12-6-9-19(22)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,19H,6,9,12,14H2,1-2H3
InChIKeyJMFGHFARRQHMCQ-UHFFFAOYSA-N
XLogP3.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 119176135
2-(5-acetyl-2-methoxyphenyl)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]ethanone
CID 71911930
2-[(2R)-1-[2-(5-acetyl-2-methoxyphenyl)acetyl]azepan-2-yl]-1-phenylethanone
CID 96533586
1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 94630999
1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 94630998
2-(4-acetyl-2-methoxyphenoxy)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 42907649
2-(2,5-dimethoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
CID 78822334
2-(5-acetyl-2-methoxyphenyl)-1-(3-aminopiperidin-1-yl)ethanone
CID 119377136
1-[4-ethoxy-3-[(2-phenylpyrrolidin-1-yl)methyl]phenyl]ethanone
CID 112808311
2-(4-acetyl-2-methoxyphenoxy)-1-[2-(4-methoxyphenyl)azepan-1-yl]ethanone
CID 17429655
2-(5-acetyl-2-methoxyphenyl)-1-(2-methylpiperazin-1-yl)ethanone
CID 119469990
4-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzoic acid
CID 125120944

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(5-acetyl-2-methoxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone (CID 42932877) is 2-(5-acetyl-2-methoxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(5-acetyl-2-methoxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(5-acetyl-2-methoxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone is COc1ccc(C(C)=O)cc1CC(=O)N1CCCC1c1ccccc1.
What is the InChIKey of 2-(5-acetyl-2-methoxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone?
The InChIKey is JMFGHFARRQHMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-15(23)17-10-11-20(25-2)18(13-17)14-21(24)22-12-6-9-19(22)16-7-4-3-5-8-16/h3-5,7-8,10-11,13,19H,6,9,12,14H2,1-2H3.
What are the key properties of 2-(5-acetyl-2-methoxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone?
2-(5-acetyl-2-methoxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone has a molecular weight of 337.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetyl-2-methoxyphenyl)-1-(2-phenylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 42932877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).