(2S,3R)-3-hydroxy-N,N,2-trimethyl-3-phenylpropanamide

C12H17NO2 — CID 12692162

IUPAC(2S,3R)-3-hydroxy-N,N,2-trimethyl-3-phenylpropanamide
SMILESC[C@H](C(=O)N(C)C)[C@@H](O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-9(12(15)13(2)3)11(14)10-7-5-4-6-8-10/h4-9,11,14H,1-3H3/t9-,11+/m0/s1
InChIKeyVGJPULAOSOWQHP-GXSJLCMTSA-N
MW207.27 g/mol
LogP1.44
Rot. Bonds3

About (2S,3R)-3-hydroxy-N,N,2-trimethyl-3-phenylpropanamide

(2S,3R)-3-hydroxy-N,N,2-trimethyl-3-phenylpropanamide (PubChem CID 12692162) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-N,N,2-trimethyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-N,N,2-trimethyl-3-phenylpropanamide
PubChem CID12692162
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2S,3R)-3-hydroxy-N,N,2-trimethyl-3-phenylpropanamide
SMILESC[C@H](C(=O)N(C)C)[C@@H](O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-9(12(15)13(2)3)11(14)10-7-5-4-6-8-10/h4-9,11,14H,1-3H3/t9-,11+/m0/s1
InChIKeyVGJPULAOSOWQHP-GXSJLCMTSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Secoclausenamide
CID 10424832
2-[1-Hydroxy-3-((E)-3-hydroxy-7-phenyl-hept-1-enyl)-cyclohexyl]-N,N-dimethyl-acetamide
CID 10090758
2-[(1S,3S)-1-hydroxy-3-[(E,3S)-3-hydroxy-7-phenylhept-1-enyl]cyclohexyl]-N,N-dimethylacetamide
CID 71452714
U-77864
CID 3035779
N,N-Diethyl-2-hydroxy-2-phenylacetamide
CID 121583
N-[(2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 24761779
2-[(1S,3S)-1-hydroxy-3-[(E)-3-hydroxy-3-methyl-7-phenylhept-1-enyl]cyclohexyl]-N,N-dimethylacetamide
CID 10738975
Sedinone
CID 14825337
3-hydroxy-N,N-dimethyl-2-phenylpropanamide
CID 13215117
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide
CID 44456514
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide
CID 44456544
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide
CID 44456568

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-N,N,2-trimethyl-3-phenylpropanamide?
The IUPAC name of (2S,3R)-3-hydroxy-N,N,2-trimethyl-3-phenylpropanamide (CID 12692162) is (2S,3R)-3-hydroxy-N,N,2-trimethyl-3-phenylpropanamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-N,N,2-trimethyl-3-phenylpropanamide?
The canonical SMILES for (2S,3R)-3-hydroxy-N,N,2-trimethyl-3-phenylpropanamide is C[C@H](C(=O)N(C)C)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S,3R)-3-hydroxy-N,N,2-trimethyl-3-phenylpropanamide?
The InChIKey is VGJPULAOSOWQHP-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(12(15)13(2)3)11(14)10-7-5-4-6-8-10/h4-9,11,14H,1-3H3/t9-,11+/m0/s1.
What are the key properties of (2S,3R)-3-hydroxy-N,N,2-trimethyl-3-phenylpropanamide?
(2S,3R)-3-hydroxy-N,N,2-trimethyl-3-phenylpropanamide has a molecular weight of 207.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-N,N,2-trimethyl-3-phenylpropanamide is sourced from PubChem (CID 12692162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).