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

C17H19NO3 — CID 10891430

IUPACN-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-phenoxyacetamide
SMILESC[C@H](NC(=O)COc1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C17H19NO3/c1-13(17(20)14-8-4-2-5-9-14)18-16(19)12-21-15-10-6-3-7-11-15/h2-11,13,17,20H,12H2,1H3,(H,18,19)/t13-,17-/m0/s1
InChIKeyXTKDTYXDJRSSFF-GUYCJALGSA-N
MW285.34 g/mol
LogP2.30
Rot. Bonds6

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

N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-phenoxyacetamide (PubChem CID 10891430) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-phenoxyacetamide
PubChem CID10891430
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-phenoxyacetamide
SMILESC[C@H](NC(=O)COc1ccccc1)[C@H](O)c1ccccc1
InChIInChI=1S/C17H19NO3/c1-13(17(20)14-8-4-2-5-9-14)18-16(19)12-21-15-10-6-3-7-11-15/h2-11,13,17,20H,12H2,1H3,(H,18,19)/t13-,17-/m0/s1
InChIKeyXTKDTYXDJRSSFF-GUYCJALGSA-N
XLogP2.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-phenoxyacetamide
CID 97069041
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
N-[(2S)-1,1-diphenylpropan-2-yl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 38595856
N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenoxyacetamide
CID 39370051
N-(1-hydroxypropan-2-yl)-2-phenoxyacetamide
CID 43418917
2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63365748
3-methyl-2-[(2-phenoxyacetyl)amino]-N-(1-phenylethyl)pentanamide
CID 42703989
2-phenoxy-N'-(1-phenylethyl)acetohydrazide
CID 23275370
N-(1-aminopropan-2-yl)-2-phenoxyacetamide
CID 63732380
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
N-(4-bromobutan-2-yl)-2-phenoxyacetamide
CID 83180352
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-phenoxyacetamide (CID 10891430) is N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-phenoxyacetamide is C[C@H](NC(=O)COc1ccccc1)[C@H](O)c1ccccc1.
What is the InChIKey of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-phenoxyacetamide?
The InChIKey is XTKDTYXDJRSSFF-GUYCJALGSA-N. The full InChI is InChI=1S/C17H19NO3/c1-13(17(20)14-8-4-2-5-9-14)18-16(19)12-21-15-10-6-3-7-11-15/h2-11,13,17,20H,12H2,1H3,(H,18,19)/t13-,17-/m0/s1.
What are the key properties of N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-phenoxyacetamide?
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-phenoxyacetamide has a molecular weight of 285.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 10891430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).