[(1R,2R)-4-oxo-1,2-diphenyl-4-phenylmethoxybutyl]azanium chloride

C23H24ClNO2 — CID 11257534

IUPAC[(1R,2R)-4-oxo-1,2-diphenyl-4-phenylmethoxybutyl]azanium chloride
SMILES[Cl-].[NH3+][C@@H](c1ccccc1)[C@H](CC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO2.ClH/c24-23(20-14-8-3-9-15-20)21(19-12-6-2-7-13-19)16-22(25)26-17-18-10-4-1-5-11-18;/h1-15,21,23H,16-17,24H2;1H/t21-,23+;/m1./s1
InChIKeyCWEYFWAWDYESSK-QRIJJCFISA-N
MW381.90 g/mol
LogP0.89
Rot. Bonds7

About [(1R,2R)-4-oxo-1,2-diphenyl-4-phenylmethoxybutyl]azanium chloride

[(1R,2R)-4-oxo-1,2-diphenyl-4-phenylmethoxybutyl]azanium chloride (PubChem CID 11257534) has the molecular formula C23H24ClNO2 and a molecular weight of 381.90 g/mol. Its IUPAC name is [(1R,2R)-4-oxo-1,2-diphenyl-4-phenylmethoxybutyl]azanium chloride.

Molecular Properties

Compound Name[(1R,2R)-4-oxo-1,2-diphenyl-4-phenylmethoxybutyl]azanium chloride
PubChem CID11257534
Molecular FormulaC23H24ClNO2
Molecular Weight381.90 g/mol
Exact Mass381.15
IUPAC Name[(1R,2R)-4-oxo-1,2-diphenyl-4-phenylmethoxybutyl]azanium chloride
SMILES[Cl-].[NH3+][C@@H](c1ccccc1)[C@H](CC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H23NO2.ClH/c24-23(20-14-8-3-9-15-20)21(19-12-6-2-7-13-19)16-22(25)26-17-18-10-4-1-5-11-18;/h1-15,21,23H,16-17,24H2;1H/t21-,23+;/m1./s1
InChIKeyCWEYFWAWDYESSK-QRIJJCFISA-N
XLogP0.89
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 4-amino-3,4-diphenylbutanoate
CID 15355049
benzyl 3-hydroxy-3-phenylpropanoate
CID 15466820
dibenzyl 3-hydroxypentanedioate
CID 23067924
benzyl (3S)-5-amino-5-oxo-3-phenylpentanoate
CID 2250347
(3-oxo-1-phenyl-3-phenylmethoxypropyl)boronic acid
CID 53255334
(2-oxo-2-phenylmethoxyethyl)azanium
CID 3684791
4-O-benzyl 1-O-[(4-fluorophenyl)methyl] 2-phenylbutanedioate
CID 142746278
dibenzyl 2-[(1S)-2-nitro-1-phenylethyl]butanedioate
CID 102314373
benzyl 3-hydroxybutanoate
CID 562226
benzyl 3,4-dimethylhexanoate
CID 123356915
dibenzyl (2R)-2-(sulfanylmethyl)butanedioate
CID 159245060
benzyl (3R)-3-(benzylamino)-3-phenylpropanoate
CID 101135571

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-4-oxo-1,2-diphenyl-4-phenylmethoxybutyl]azanium chloride?
The IUPAC name of [(1R,2R)-4-oxo-1,2-diphenyl-4-phenylmethoxybutyl]azanium chloride (CID 11257534) is [(1R,2R)-4-oxo-1,2-diphenyl-4-phenylmethoxybutyl]azanium chloride.
What is the SMILES notation for [(1R,2R)-4-oxo-1,2-diphenyl-4-phenylmethoxybutyl]azanium chloride?
The canonical SMILES for [(1R,2R)-4-oxo-1,2-diphenyl-4-phenylmethoxybutyl]azanium chloride is [Cl-].[NH3+][C@@H](c1ccccc1)[C@H](CC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,2R)-4-oxo-1,2-diphenyl-4-phenylmethoxybutyl]azanium chloride?
The InChIKey is CWEYFWAWDYESSK-QRIJJCFISA-N. The full InChI is InChI=1S/C23H23NO2.ClH/c24-23(20-14-8-3-9-15-20)21(19-12-6-2-7-13-19)16-22(25)26-17-18-10-4-1-5-11-18;/h1-15,21,23H,16-17,24H2;1H/t21-,23+;/m1./s1.
What are the key properties of [(1R,2R)-4-oxo-1,2-diphenyl-4-phenylmethoxybutyl]azanium chloride?
[(1R,2R)-4-oxo-1,2-diphenyl-4-phenylmethoxybutyl]azanium chloride has a molecular weight of 381.90 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-4-oxo-1,2-diphenyl-4-phenylmethoxybutyl]azanium chloride is sourced from PubChem (CID 11257534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).