N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide

C34H38N2O4 — CID 158962259

IUPACN-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
SMILESC[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)c1ccccc1.C[C@H](C(O)c1ccccc1)N(C)C(=O)c1ccccc1
InChIInChI=1S/2C17H19NO2/c2*1-13(16(19)14-9-5-3-6-10-14)18(2)17(20)15-11-7-4-8-12-15/h2*3-13,16,19H,1-2H3/t13-,16?;13-,16-/m10/s1
InChIKeyJMTOZGPZKJOABF-XPSJZYMWSA-N
MW538.69 g/mol
LogP5.76
Rot. Bonds8

About N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide

N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide (PubChem CID 158962259) has the molecular formula C34H38N2O4 and a molecular weight of 538.69 g/mol. Its IUPAC name is N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
PubChem CID158962259
Molecular FormulaC34H38N2O4
Molecular Weight538.69 g/mol
Exact Mass538.28
IUPAC NameN-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
SMILESC[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)c1ccccc1.C[C@H](C(O)c1ccccc1)N(C)C(=O)c1ccccc1
InChIInChI=1S/2C17H19NO2/c2*1-13(16(19)14-9-5-3-6-10-14)18(2)17(20)15-11-7-4-8-12-15/h2*3-13,16,19H,1-2H3/t13-,16?;13-,16-/m10/s1
InChIKeyJMTOZGPZKJOABF-XPSJZYMWSA-N
XLogP5.76
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.69
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[hydroxy(phenyl)methyl]-N-methylbenzamide
CID 134892565
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylpropoxy)benzamide
CID 54856733
N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide
CID 54856631
4-(2-ethoxyethoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide
CID 54856940
3-bromo-N-(1-hydroxy-1-phenylpropan-2-yl)-4-methoxy-N-methylbenzamide
CID 54856700
1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea
CID 23264849
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 102065194
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide
CID 11413337
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-3-(2-methylprop-2-enoxy)benzamide
CID 54856661
(1R,2R)-2-[[(Z)-1-hydroxyprop-1-enyl]-methylamino]-1-phenylpropan-1-ol
CID 154709329
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
CID 54856748

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide?
The IUPAC name of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide (CID 158962259) is N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide.
What is the SMILES notation for N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide?
The canonical SMILES for N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide is C[C@@H]([C@H](O)c1ccccc1)N(C)C(=O)c1ccccc1.C[C@H](C(O)c1ccccc1)N(C)C(=O)c1ccccc1.
What is the InChIKey of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide?
The InChIKey is JMTOZGPZKJOABF-XPSJZYMWSA-N. The full InChI is InChI=1S/2C17H19NO2/c2*1-13(16(19)14-9-5-3-6-10-14)18(2)17(20)15-11-7-4-8-12-15/h2*3-13,16,19H,1-2H3/t13-,16?;13-,16-/m10/s1.
What are the key properties of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide?
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide has a molecular weight of 538.69 g/mol, XLogP of 5.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide is sourced from PubChem (CID 158962259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).