dimethyl-[(2R)-1-oxo-1,3,3-triphenylpropan-2-yl]azanium

C23H24NO+ — CID 2093668

IUPACdimethyl-[(2R)-1-oxo-1,3,3-triphenylpropan-2-yl]azanium
SMILESC[NH+](C)[C@@H](C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO/c1-24(2)22(23(25)20-16-10-5-11-17-20)21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21-22H,1-2H3/p+1/t22-/m1/s1
InChIKeySZXDHSMXKRLDLO-JOCHJYFZSA-O
MW330.45 g/mol
LogP3.21
Rot. Bonds6

About dimethyl-[(2R)-1-oxo-1,3,3-triphenylpropan-2-yl]azanium

dimethyl-[(2R)-1-oxo-1,3,3-triphenylpropan-2-yl]azanium (PubChem CID 2093668) has the molecular formula C23H24NO+ and a molecular weight of 330.45 g/mol. Its IUPAC name is dimethyl-[(2R)-1-oxo-1,3,3-triphenylpropan-2-yl]azanium.

Molecular Properties

Compound Namedimethyl-[(2R)-1-oxo-1,3,3-triphenylpropan-2-yl]azanium
PubChem CID2093668
Molecular FormulaC23H24NO+
Molecular Weight330.45 g/mol
Exact Mass330.19
IUPAC Namedimethyl-[(2R)-1-oxo-1,3,3-triphenylpropan-2-yl]azanium
SMILESC[NH+](C)[C@@H](C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO/c1-24(2)22(23(25)20-16-10-5-11-17-20)21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21-22H,1-2H3/p+1/t22-/m1/s1
InChIKeySZXDHSMXKRLDLO-JOCHJYFZSA-O
XLogP3.21
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

dimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium
CID 6947215
dimethyl-(3-oxo-2,3-diphenylpropyl)azanium chloride
CID 10979125
2-hydroxy-1,2-diphenylethanone
CID 159399559
bis(2-(2-oxo-1,2-diphenylethoxy)-1,2-diphenylethanone);hydrate
CID 19854989
(2S)-2-(hydroxyamino)-1,2-diphenylethanone
CID 7016003
2-[(2-methylphenyl)-phenylmethyl]-1,3-diphenylpropane-1,3-dione
CID 102532176
(2S,3S)-3-bromo-2-hydroxy-1,3-diphenylpropan-1-one
CID 131847113
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
1,2,3-triphenylhexane-1,5-dione
CID 538859
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
(2S)-2-methyl-3-oxo-3-phenylpropanal
CID 93475619

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2R)-1-oxo-1,3,3-triphenylpropan-2-yl]azanium?
The IUPAC name of dimethyl-[(2R)-1-oxo-1,3,3-triphenylpropan-2-yl]azanium (CID 2093668) is dimethyl-[(2R)-1-oxo-1,3,3-triphenylpropan-2-yl]azanium.
What is the SMILES notation for dimethyl-[(2R)-1-oxo-1,3,3-triphenylpropan-2-yl]azanium?
The canonical SMILES for dimethyl-[(2R)-1-oxo-1,3,3-triphenylpropan-2-yl]azanium is C[NH+](C)[C@@H](C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of dimethyl-[(2R)-1-oxo-1,3,3-triphenylpropan-2-yl]azanium?
The InChIKey is SZXDHSMXKRLDLO-JOCHJYFZSA-O. The full InChI is InChI=1S/C23H23NO/c1-24(2)22(23(25)20-16-10-5-11-17-20)21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21-22H,1-2H3/p+1/t22-/m1/s1.
What are the key properties of dimethyl-[(2R)-1-oxo-1,3,3-triphenylpropan-2-yl]azanium?
dimethyl-[(2R)-1-oxo-1,3,3-triphenylpropan-2-yl]azanium has a molecular weight of 330.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2R)-1-oxo-1,3,3-triphenylpropan-2-yl]azanium is sourced from PubChem (CID 2093668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).