6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one

C21H27NO — CID 10072

💊View drug profile → isomethadone
IUPAC6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one
SMILESCCC(=O)C(c1ccccc1)(c1ccccc1)C(C)CN(C)C
InChIInChI=1S/C21H27NO/c1-5-20(23)21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
InChIKeyIFKPLJWIEQBPGG-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.15
Rot. Bonds7

About 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one

6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one (PubChem CID 10072) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one.

Molecular Properties

Compound Name6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one
PubChem CID10072
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one
SMILESCCC(=O)C(c1ccccc1)(c1ccccc1)C(C)CN(C)C
InChIInChI=1S/C21H27NO/c1-5-20(23)21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
InChIKeyIFKPLJWIEQBPGG-UHFFFAOYSA-N
XLogP4.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methadone
CID 4095
Diphenamid
CID 13728
Isopropamide
CID 3775
Normethadone
CID 10090
Methadone Hydrochloride
CID 14184
Levomethadone
CID 22267
Isopropamide Iodide
CID 6284
(+)-Methadone
CID 643985
Phenadoxone
CID 10089
Fenpiverinium Bromide
CID 71489
Norpipanone
CID 22391
Fenpiverinium
CID 71490

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one?
The IUPAC name of 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one (CID 10072) is 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one.
What is the SMILES notation for 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one?
The canonical SMILES for 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one is CCC(=O)C(c1ccccc1)(c1ccccc1)C(C)CN(C)C.
What is the InChIKey of 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one?
The InChIKey is IFKPLJWIEQBPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-5-20(23)21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3.
What are the key properties of 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one?
6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one has a molecular weight of 309.45 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one is sourced from PubChem (CID 10072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).