4-(dimethylamino)-1-(4-methoxyphenyl)-4-methylhexan-3-one

C16H25NO2 — CID 79051107

IUPAC4-(dimethylamino)-1-(4-methoxyphenyl)-4-methylhexan-3-one
SMILESCCC(C)(C(=O)CCc1ccc(OC)cc1)N(C)C
InChIInChI=1S/C16H25NO2/c1-6-16(2,17(3)4)15(18)12-9-13-7-10-14(19-5)11-8-13/h7-8,10-11H,6,9,12H2,1-5H3
InChIKeyQGQSLKPMMVZGSX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.93
Rot. Bonds7

About 4-(dimethylamino)-1-(4-methoxyphenyl)-4-methylhexan-3-one

4-(dimethylamino)-1-(4-methoxyphenyl)-4-methylhexan-3-one (PubChem CID 79051107) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-(dimethylamino)-1-(4-methoxyphenyl)-4-methylhexan-3-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-(4-methoxyphenyl)-4-methylhexan-3-one
PubChem CID79051107
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-(dimethylamino)-1-(4-methoxyphenyl)-4-methylhexan-3-one
SMILESCCC(C)(C(=O)CCc1ccc(OC)cc1)N(C)C
InChIInChI=1S/C16H25NO2/c1-6-16(2,17(3)4)15(18)12-9-13-7-10-14(19-5)11-8-13/h7-8,10-11H,6,9,12H2,1-5H3
InChIKeyQGQSLKPMMVZGSX-UHFFFAOYSA-N
XLogP2.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-4,4-dimethylhexan-3-one
CID 114974365
tert-butyl 3-(4-methoxyphenyl)propanoate
CID 63896650
N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 79652961
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
N-(2-cyanobutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 61119783
N-(2-ethyl-2-hydroxybutyl)-3-(4-methoxyphenyl)propanamide
CID 65112662
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide
CID 103839704
(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221076
N-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78858628
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 63225839
(E)-9-(4-methoxyphenyl)-3-methylnon-6-en-3-ol
CID 22760095
N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 43390565

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-(4-methoxyphenyl)-4-methylhexan-3-one?
The IUPAC name of 4-(dimethylamino)-1-(4-methoxyphenyl)-4-methylhexan-3-one (CID 79051107) is 4-(dimethylamino)-1-(4-methoxyphenyl)-4-methylhexan-3-one.
What is the SMILES notation for 4-(dimethylamino)-1-(4-methoxyphenyl)-4-methylhexan-3-one?
The canonical SMILES for 4-(dimethylamino)-1-(4-methoxyphenyl)-4-methylhexan-3-one is CCC(C)(C(=O)CCc1ccc(OC)cc1)N(C)C.
What is the InChIKey of 4-(dimethylamino)-1-(4-methoxyphenyl)-4-methylhexan-3-one?
The InChIKey is QGQSLKPMMVZGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-16(2,17(3)4)15(18)12-9-13-7-10-14(19-5)11-8-13/h7-8,10-11H,6,9,12H2,1-5H3.
What are the key properties of 4-(dimethylamino)-1-(4-methoxyphenyl)-4-methylhexan-3-one?
4-(dimethylamino)-1-(4-methoxyphenyl)-4-methylhexan-3-one has a molecular weight of 263.38 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-(4-methoxyphenyl)-4-methylhexan-3-one is sourced from PubChem (CID 79051107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).