(2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide

C15H23NO3 — CID 97241364

IUPAC(2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
SMILESC[C@@H](CO)NC(=O)[C@H](OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-11(10-17)16-14(18)13(19-15(2,3)4)12-8-6-5-7-9-12/h5-9,11,13,17H,10H2,1-4H3,(H,16,18)/t11-,13+/m0/s1
InChIKeyDPCFINAXRNWWKA-WCQYABFASA-N
MW265.35 g/mol
LogP2.04
Rot. Bonds5

About (2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide

(2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide (PubChem CID 97241364) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
PubChem CID97241364
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
SMILESC[C@@H](CO)NC(=O)[C@H](OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-11(10-17)16-14(18)13(19-15(2,3)4)12-8-6-5-7-9-12/h5-9,11,13,17H,10H2,1-4H3,(H,16,18)/t11-,13+/m0/s1
InChIKeyDPCFINAXRNWWKA-WCQYABFASA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-4-methylpentan-3-yl)-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide
CID 109380007
[2-(1-hydroxypropan-2-ylamino)-2-oxo-1-phenylethyl] acetate
CID 70487174
N-(1-hydroxypropan-2-yl)-2,2-diphenylacetamide
CID 78856864
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-2-phenylacetamide
CID 107218501
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
3-amino-N-(1-hydroxypropan-2-yl)-2-phenylpropanamide
CID 62877991
(2R)-3-hydroxy-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 80750625
1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
CID 175560778
(2R)-2-[(2,2-diphenylacetyl)amino]-N-[(2S)-1-hydroxypropan-2-yl]-3-methylbutanamide
CID 96564952
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
N-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3-phenylbutanamide
CID 110306885
(2S)-N-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-2-methoxy-2-phenylacetamide
CID 97019721

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide?
The IUPAC name of (2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide (CID 97241364) is (2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide?
The canonical SMILES for (2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide is C[C@@H](CO)NC(=O)[C@H](OC(C)(C)C)c1ccccc1.
What is the InChIKey of (2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide?
The InChIKey is DPCFINAXRNWWKA-WCQYABFASA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(10-17)16-14(18)13(19-15(2,3)4)12-8-6-5-7-9-12/h5-9,11,13,17H,10H2,1-4H3,(H,16,18)/t11-,13+/m0/s1.
What are the key properties of (2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide?
(2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide has a molecular weight of 265.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-hydroxypropan-2-yl]-2-[(2-methylpropan-2-yl)oxy]-2-phenylacetamide is sourced from PubChem (CID 97241364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).