(2S,3R)-3-hydroxy-N-methoxy-N-methyl-2,3-diphenylpropanamide

C17H19NO3 — CID 166438600

IUPAC(2S,3R)-3-hydroxy-N-methoxy-N-methyl-2,3-diphenylpropanamide
SMILESCON(C)C(=O)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C17H19NO3/c1-18(21-2)17(20)15(13-9-5-3-6-10-13)16(19)14-11-7-4-8-12-14/h3-12,15-16,19H,1-2H3/t15-,16-/m0/s1
InChIKeyZUNGIRRHXNLBAP-HOTGVXAUSA-N
MW285.34 g/mol
LogP2.52
Rot. Bonds5

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

(2S,3R)-3-hydroxy-N-methoxy-N-methyl-2,3-diphenylpropanamide (PubChem CID 166438600) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-N-methoxy-N-methyl-2,3-diphenylpropanamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-N-methoxy-N-methyl-2,3-diphenylpropanamide
PubChem CID166438600
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(2S,3R)-3-hydroxy-N-methoxy-N-methyl-2,3-diphenylpropanamide
SMILESCON(C)C(=O)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C17H19NO3/c1-18(21-2)17(20)15(13-9-5-3-6-10-13)16(19)14-11-7-4-8-12-14/h3-12,15-16,19H,1-2H3/t15-,16-/m0/s1
InChIKeyZUNGIRRHXNLBAP-HOTGVXAUSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-N,N-diethyl-3-hydroxy-2,3-diphenylpropanamide
CID 10756442
2-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide
CID 22910157
(2S,3R)-2-(tert-butylsulfonylamino)-3-hydroxy-N-methoxy-N-methyl-3-phenylpropanamide
CID 101053354
N-methoxy-N-methyl-3-oxo-2,3-diphenylpropanamide
CID 166438028
N-methoxy-N,4-dimethyl-2-phenylpentanamide
CID 22270428
(2S,3R)-2,3-dihydroxy-N,N-dimethyl-3-phenylpropanamide
CID 102048863
tert-butyl-[(1S,2R)-1-tert-butylazanidyl-3-[methoxy(methyl)amino]-3-oxo-1-phenylpropan-2-yl]azanide;dioxoosmium(2+)
CID 177455278
[3-hydroxy-4-[methoxy(methyl)amino]-4-oxo-2-phenylbutyl]carbamic acid
CID 87978009
(2S)-N-methoxy-N-methyl-2-phenoxypropanamide
CID 95297395
(2S,3R)-3-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide
CID 57222497
2-fluoro-N-methoxy-N-methyl-3-phenylpropanamide
CID 22910298
methyl (2S,3R)-3-(4-bromophenyl)-3-hydroxy-2-phenylpropanoate
CID 72545735

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-N-methoxy-N-methyl-2,3-diphenylpropanamide?
The IUPAC name of (2S,3R)-3-hydroxy-N-methoxy-N-methyl-2,3-diphenylpropanamide (CID 166438600) is (2S,3R)-3-hydroxy-N-methoxy-N-methyl-2,3-diphenylpropanamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-N-methoxy-N-methyl-2,3-diphenylpropanamide?
The canonical SMILES for (2S,3R)-3-hydroxy-N-methoxy-N-methyl-2,3-diphenylpropanamide is CON(C)C(=O)[C@@H](c1ccccc1)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S,3R)-3-hydroxy-N-methoxy-N-methyl-2,3-diphenylpropanamide?
The InChIKey is ZUNGIRRHXNLBAP-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H19NO3/c1-18(21-2)17(20)15(13-9-5-3-6-10-13)16(19)14-11-7-4-8-12-14/h3-12,15-16,19H,1-2H3/t15-,16-/m0/s1.
What are the key properties of (2S,3R)-3-hydroxy-N-methoxy-N-methyl-2,3-diphenylpropanamide?
(2S,3R)-3-hydroxy-N-methoxy-N-methyl-2,3-diphenylpropanamide has a molecular weight of 285.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-N-methoxy-N-methyl-2,3-diphenylpropanamide is sourced from PubChem (CID 166438600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).