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Propoxyphene

C22H29NO2 — CID 10100

💊View drug profile → dextropropoxyphene

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate
SMILESCCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C
InChIInChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m1/s1
InChIKeyXLMALTXPSGQGBX-GCJKJVERSA-N
MW339.48 g/mol
LogP4.28
Rot. Bonds8

About Propoxyphene

Propoxyphene (PubChem CID 10100) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is [(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate.

Molecular Properties

Compound NamePropoxyphene
PubChem CID10100
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name[(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate
SMILESCCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C
InChIInChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m1/s1
InChIKeyXLMALTXPSGQGBX-GCJKJVERSA-N
XLogP4.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dextropropoxyphene Hydrochloride
CID 15424
Betaprodine
CID 5284516
Benzeneethanol, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-, 1-propanoate
CID 15330
Darvon
CID 15329
Blarcamesine Hydrochloride
CID 46932299
3-Methyl-4-(methylamino)-1,2-diphenyl-2-butanyl propionate
CID 18804

Frequently Asked Questions

What is the IUPAC name of Propoxyphene?
The IUPAC name of Propoxyphene (CID 10100) is [(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate.
What is the SMILES notation for Propoxyphene?
The canonical SMILES for Propoxyphene is CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C.
What is the InChIKey of Propoxyphene?
The InChIKey is XLMALTXPSGQGBX-GCJKJVERSA-N. The full InChI is InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m1/s1.
What are the key properties of Propoxyphene?
Propoxyphene has a molecular weight of 339.48 g/mol, XLogP of 4.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Propoxyphene is sourced from PubChem (CID 10100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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