(2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide

C11H15NO3 — CID 102048863

IUPAC(2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide
SMILESCN(C)C(=O)[C@@H](O)[C@H](O)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-12(2)11(15)10(14)9(13)8-6-4-3-5-7-8/h3-7,9-10,13-14H,1-2H3/t9-,10+/m1/s1
InChIKeyWCTONNVOXGKTMV-ZJUUUORDSA-N
MW209.25 g/mol
LogP0.17
Rot. Bonds3

About (2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide

(2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide (PubChem CID 102048863) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide
PubChem CID102048863
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide
SMILESCN(C)C(=O)[C@@H](O)[C@H](O)c1ccccc1
InChIInChI=1S/C11H15NO3/c1-12(2)11(15)10(14)9(13)8-6-4-3-5-7-8/h3-7,9-10,13-14H,1-2H3/t9-,10+/m1/s1
InChIKeyWCTONNVOXGKTMV-ZJUUUORDSA-N
XLogP0.17
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R,4S)-2,3,4-trihydroxy-N,N-dimethyl-4-phenylbutanamide
CID 134855963
(2R,3S)-2,3-dihydroxy-N-(2-hydroxy-2-phenylethyl)-N-methyl-3-phenylpropanamide
CID 10757720
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
N,N-dimethyl-2,2-diphenylacetamide;ethane
CID 67314826
bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane
CID 89402051
(3S,4S)-3,4-dihydroxy-4-phenylbutan-2-one
CID 101138777
2-[hydroxy(phenyl)methyl]-N,N,3-trimethylbut-3-enamide
CID 12682146
(2S)-2-amino-N,N-dimethyl-2-phenylacetamide
CID 11263835
(1-hydroxy-1-phenylbut-3-en-2-yl) N,N-dimethylcarbamate
CID 102469609
N,N-dimethyl-2-(methylamino)-3-phenylbutanamide
CID 16748884
1,2-diphenylethane-1,2-diol
CID 159073808
(2S,3R)-3-hydroxy-N-methoxy-N-methyl-2,3-diphenylpropanamide
CID 166438600

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide?
The IUPAC name of (2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide (CID 102048863) is (2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide.
What is the SMILES notation for (2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide?
The canonical SMILES for (2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide is CN(C)C(=O)[C@@H](O)[C@H](O)c1ccccc1.
What is the InChIKey of (2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide?
The InChIKey is WCTONNVOXGKTMV-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H15NO3/c1-12(2)11(15)10(14)9(13)8-6-4-3-5-7-8/h3-7,9-10,13-14H,1-2H3/t9-,10+/m1/s1.
What are the key properties of (2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide?
(2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide has a molecular weight of 209.25 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 102048863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).