2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one

C22H27NO2 — CID 4209385

IUPAC2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
SMILESCCCOc1ccc(C(=O)C(CN2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C22H27NO2/c1-2-16-25-20-12-10-19(11-13-20)22(24)21(17-23-14-6-7-15-23)18-8-4-3-5-9-18/h3-5,8-13,21H,2,6-7,14-17H2,1H3
InChIKeyGMVQRRVCNWDLLT-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.54
Rot. Bonds8

About 2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one

2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 4209385) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
PubChem CID4209385
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
SMILESCCCOc1ccc(C(=O)C(CN2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C22H27NO2/c1-2-16-25-20-12-10-19(11-13-20)22(24)21(17-23-14-6-7-15-23)18-8-4-3-5-9-18/h3-5,8-13,21H,2,6-7,14-17H2,1H3
InChIKeyGMVQRRVCNWDLLT-UHFFFAOYSA-N
XLogP4.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride
CID 53347376
(2S,4S)-2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-propoxyphenyl)pentane-1,5-dione
CID 97292404
1-(4-ethoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one chloride
CID 53347221
2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione
CID 3078330
2,7-bis(azepan-1-ylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione;dihydrochloride
CID 3078329
1-(4-methylphenyl)-3-[4-[3-(4-methylphenyl)-3-oxo-2-phenylpropyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 71344000
2-phenyl-3-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 119031136
1-(4-butoxyphenyl)-2-phenylpropan-1-one
CID 101074435
1,2-diphenyl-3-thiomorpholin-4-ylpropan-1-one
CID 117066200
(2R,4R)-2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-ethoxyphenyl)pentane-1,5-dione
CID 97292408
1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylbutan-1-one
CID 70452860
2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride
CID 67449753

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one (CID 4209385) is 2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one is CCCOc1ccc(C(=O)C(CN2CCCC2)c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is GMVQRRVCNWDLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-2-16-25-20-12-10-19(11-13-20)22(24)21(17-23-14-6-7-15-23)18-8-4-3-5-9-18/h3-5,8-13,21H,2,6-7,14-17H2,1H3.
What are the key properties of 2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one?
2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 337.46 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(4-propoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 4209385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).