dimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium

C17H20NO+ — CID 6947215

IUPACdimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium
SMILESC[NH+](C)C[C@@H](C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO/c1-18(2)13-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3/p+1/t16-/m1/s1
InChIKeyGJUPMIOTRBVKSA-MRXNPFEDSA-O
MW254.35 g/mol
LogP1.80
Rot. Bonds5

About dimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium

dimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium (PubChem CID 6947215) has the molecular formula C17H20NO+ and a molecular weight of 254.35 g/mol. Its IUPAC name is dimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium.

Molecular Properties

Compound Namedimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium
PubChem CID6947215
Molecular FormulaC17H20NO+
Molecular Weight254.35 g/mol
Exact Mass254.15
IUPAC Namedimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium
SMILESC[NH+](C)C[C@@H](C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO/c1-18(2)13-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3/p+1/t16-/m1/s1
InChIKeyGJUPMIOTRBVKSA-MRXNPFEDSA-O
XLogP1.80
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

dimethyl-(3-oxo-2,3-diphenylpropyl)azanium chloride
CID 10979125
1,2-diphenylpentane-1,4-dione
CID 13184730
4,4-dimethyl-1,2-diphenylpentan-1-one
CID 78133328
4-fluoro-1,2-diphenylbutan-1-one
CID 174928566
1,2,5,5-tetraphenylpentane-1,4-dione
CID 134096157
1-(4-chlorophenyl)-3-hydroxy-2-phenylpropan-1-one
CID 122226240
(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
dimethyl-[(2R)-1-oxo-1,3,3-triphenylpropan-2-yl]azanium
CID 2093668
1-(4-iodophenyl)-2-phenylbutan-1-one
CID 11772471
2-(4-methylphenyl)-1-phenylpentan-1-one
CID 134967757
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one chloride
CID 53347376

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium?
The IUPAC name of dimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium (CID 6947215) is dimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium.
What is the SMILES notation for dimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium?
The canonical SMILES for dimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium is C[NH+](C)C[C@@H](C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of dimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium?
The InChIKey is GJUPMIOTRBVKSA-MRXNPFEDSA-O. The full InChI is InChI=1S/C17H19NO/c1-18(2)13-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3/p+1/t16-/m1/s1.
What are the key properties of dimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium?
dimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium has a molecular weight of 254.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2S)-3-oxo-2,3-diphenylpropyl]azanium is sourced from PubChem (CID 6947215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).