Darvon

C22H30ClNO2 — CID 15329

IUPAC[4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;hydrochloride
SMILESCCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.Cl
InChIInChI=1S/C22H29NO2.ClH/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;1H
InChIKeyQMQBBUPJKANITL-UHFFFAOYSA-N
MW375.90 g/mol
LogP—
Rot. Bonds9

About Darvon

Darvon (PubChem CID 15329) has the molecular formula C22H30ClNO2 and a molecular weight of 375.90 g/mol. Its IUPAC name is [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;hydrochloride.

Molecular Properties

Compound NameDarvon
PubChem CID15329
Molecular FormulaC22H30ClNO2
Molecular Weight375.90 g/mol
Exact Mass375.20
IUPAC Name[4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;hydrochloride
SMILESCCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.Cl
InChIInChI=1S/C22H29NO2.ClH/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;1H
InChIKeyQMQBBUPJKANITL-UHFFFAOYSA-N
XLogP—
TPSA29.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity397

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60977
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CID 9882189
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CID 61583
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CID 5284516
Benzeneethanol, alpha-(2-(dimethylamino)-1-methylethyl)-alpha-phenyl-, 1-propanoate
CID 15330
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 Darvon?
The IUPAC name of Darvon (CID 15329) is [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate;hydrochloride.
What is the SMILES notation for Darvon?
The canonical SMILES for Darvon is CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.Cl.
What is the InChIKey of Darvon?
The InChIKey is QMQBBUPJKANITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2.ClH/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;1H.
What are the key properties of Darvon?
Darvon has a molecular weight of 375.90 g/mol, XLogP of not available, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Darvon is sourced from PubChem (CID 15329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).