(2R,3S)-3-hydroxy-2-methyl-N,N,3-triphenylpropanamide

C22H21NO2 — CID 102439539

IUPAC(2R,3S)-3-hydroxy-2-methyl-N,N,3-triphenylpropanamide
SMILESC[C@@H](C(=O)N(c1ccccc1)c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C22H21NO2/c1-17(21(24)18-11-5-2-6-12-18)22(25)23(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21,24H,1H3/t17-,21+/m1/s1
InChIKeyNYDXUJGZWZLFTL-UTKZUKDTSA-N
MW331.42 g/mol
LogP4.72
Rot. Bonds5

About (2R,3S)-3-hydroxy-2-methyl-N,N,3-triphenylpropanamide

(2R,3S)-3-hydroxy-2-methyl-N,N,3-triphenylpropanamide (PubChem CID 102439539) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-2-methyl-N,N,3-triphenylpropanamide.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-2-methyl-N,N,3-triphenylpropanamide
PubChem CID102439539
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name(2R,3S)-3-hydroxy-2-methyl-N,N,3-triphenylpropanamide
SMILESC[C@@H](C(=O)N(c1ccccc1)c1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C22H21NO2/c1-17(21(24)18-11-5-2-6-12-18)22(25)23(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21,24H,1H3/t17-,21+/m1/s1
InChIKeyNYDXUJGZWZLFTL-UTKZUKDTSA-N
XLogP4.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R,4R)-4-hydroxy-2,3-dimethyl-4-phenyl-N,N-di(propan-2-yl)butanamide
CID 102092739
diethyl 2-[1-oxo-1-(N-phenylanilino)propan-2-yl]propanedioate
CID 135072806
ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10013279
(2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide
CID 102048863
S-phenyl (2R,3S)-3-hydroxy-2-methyl-3-phenylpropanethioate
CID 101145099
phenyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanoate
CID 10978067
N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide
CID 138899896
(2R)-4-methyl-3-oxo-2-[(1S)-2-oxo-1-phenylethyl]-N,N-diphenylpentanamide
CID 124640134
tert-butyl 3-hydroxy-2-methyl-3-phenylpropanoate
CID 571985
S-tert-butyl (2S,3R)-3-hydroxy-2-methyl-3-phenylpropanethioate
CID 12501842
S-ethyl (2R,3R)-3-hydroxy-2-methyl-3-phenylpropanethioate
CID 11096246
1,2-diphenylethane-1,2-diol
CID 159073808

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-2-methyl-N,N,3-triphenylpropanamide?
The IUPAC name of (2R,3S)-3-hydroxy-2-methyl-N,N,3-triphenylpropanamide (CID 102439539) is (2R,3S)-3-hydroxy-2-methyl-N,N,3-triphenylpropanamide.
What is the SMILES notation for (2R,3S)-3-hydroxy-2-methyl-N,N,3-triphenylpropanamide?
The canonical SMILES for (2R,3S)-3-hydroxy-2-methyl-N,N,3-triphenylpropanamide is C[C@@H](C(=O)N(c1ccccc1)c1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of (2R,3S)-3-hydroxy-2-methyl-N,N,3-triphenylpropanamide?
The InChIKey is NYDXUJGZWZLFTL-UTKZUKDTSA-N. The full InChI is InChI=1S/C22H21NO2/c1-17(21(24)18-11-5-2-6-12-18)22(25)23(19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-17,21,24H,1H3/t17-,21+/m1/s1.
What are the key properties of (2R,3S)-3-hydroxy-2-methyl-N,N,3-triphenylpropanamide?
(2R,3S)-3-hydroxy-2-methyl-N,N,3-triphenylpropanamide has a molecular weight of 331.42 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxy-2-methyl-N,N,3-triphenylpropanamide is sourced from PubChem (CID 102439539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).