(2S)-3-anilino-2-hydroxy-1,2-diphenylpropan-1-one

C21H19NO2 — CID 154714165

IUPAC(2S)-3-anilino-2-hydroxy-1,2-diphenylpropan-1-one
SMILESO=C(c1ccccc1)[C@@](O)(CNc1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO2/c23-20(17-10-4-1-5-11-17)21(24,18-12-6-2-7-13-18)16-22-19-14-8-3-9-15-19/h1-15,22,24H,16H2/t21-/m1/s1
InChIKeyGIOVZKNSCROBQK-OAQYLSRUSA-N
MW317.39 g/mol
LogP3.87
Rot. Bonds6

About (2S)-3-anilino-2-hydroxy-1,2-diphenylpropan-1-one

(2S)-3-anilino-2-hydroxy-1,2-diphenylpropan-1-one (PubChem CID 154714165) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2S)-3-anilino-2-hydroxy-1,2-diphenylpropan-1-one.

Molecular Properties

Compound Name(2S)-3-anilino-2-hydroxy-1,2-diphenylpropan-1-one
PubChem CID154714165
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name(2S)-3-anilino-2-hydroxy-1,2-diphenylpropan-1-one
SMILESO=C(c1ccccc1)[C@@](O)(CNc1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NO2/c23-20(17-10-4-1-5-11-17)21(24,18-12-6-2-7-13-18)16-22-19-14-8-3-9-15-19/h1-15,22,24H,16H2/t21-/m1/s1
InChIKeyGIOVZKNSCROBQK-OAQYLSRUSA-N
XLogP3.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-anilino-2,2-dimethylpropanoic acid
CID 13028386
methoxymethane;methyl 4-hydroxy-5-oxo-4,5-diphenylpentanoate
CID 70602974
N-[4-[(2-hydroxy-2-phenylpropyl)amino]phenyl]acetamide
CID 62373656
(2-hydroxy-3-oxo-2,3-diphenylpropyl) N-methylsulfamate
CID 100918521
2-hydroxy-3-oxo-2,3-diphenylpropanal
CID 87459670
benzenesulfonic acid;2,3-dihydroxy-1,2-diphenylpropan-1-one
CID 174475774
(2-hydroxy-3-oxo-2,3-diphenylpropyl) methanesulfonate
CID 19776986
3-chloro-5-hydroxy-6-oxo-5,6-diphenylhexanoic acid
CID 68743107
1-(4-tert-butylanilino)-2-phenylpropan-2-ol
CID 62373659
2-chloro-1,2,2-triphenylethanone
CID 11301235
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
3-hydroxy-2-(hydroxymethyl)-1,2-diphenylpropan-1-one
CID 150106671

Frequently Asked Questions

What is the IUPAC name of (2S)-3-anilino-2-hydroxy-1,2-diphenylpropan-1-one?
The IUPAC name of (2S)-3-anilino-2-hydroxy-1,2-diphenylpropan-1-one (CID 154714165) is (2S)-3-anilino-2-hydroxy-1,2-diphenylpropan-1-one.
What is the SMILES notation for (2S)-3-anilino-2-hydroxy-1,2-diphenylpropan-1-one?
The canonical SMILES for (2S)-3-anilino-2-hydroxy-1,2-diphenylpropan-1-one is O=C(c1ccccc1)[C@@](O)(CNc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-3-anilino-2-hydroxy-1,2-diphenylpropan-1-one?
The InChIKey is GIOVZKNSCROBQK-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H19NO2/c23-20(17-10-4-1-5-11-17)21(24,18-12-6-2-7-13-18)16-22-19-14-8-3-9-15-19/h1-15,22,24H,16H2/t21-/m1/s1.
What are the key properties of (2S)-3-anilino-2-hydroxy-1,2-diphenylpropan-1-one?
(2S)-3-anilino-2-hydroxy-1,2-diphenylpropan-1-one has a molecular weight of 317.39 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-anilino-2-hydroxy-1,2-diphenylpropan-1-one is sourced from PubChem (CID 154714165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).