(2S)-N-tert-butyl-2-hydroxy-2-phenylacetamide

C12H17NO2 — CID 11009109

IUPAC(2S)-N-tert-butyl-2-hydroxy-2-phenylacetamide
SMILESCC(C)(C)NC(=O)[C@@H](O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-12(2,3)13-11(15)10(14)9-7-5-4-6-8-9/h4-8,10,14H,1-3H3,(H,13,15)/t10-/m0/s1
InChIKeyTYILRWKOBWOVII-JTQLQIEISA-N
MW207.27 g/mol
LogP1.63
Rot. Bonds2

About (2S)-N-tert-butyl-2-hydroxy-2-phenylacetamide

(2S)-N-tert-butyl-2-hydroxy-2-phenylacetamide (PubChem CID 11009109) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-hydroxy-2-phenylacetamide
PubChem CID11009109
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2S)-N-tert-butyl-2-hydroxy-2-phenylacetamide
SMILESCC(C)(C)NC(=O)[C@@H](O)c1ccccc1
InChIInChI=1S/C12H17NO2/c1-12(2,3)13-11(15)10(14)9-7-5-4-6-8-9/h4-8,10,14H,1-3H3,(H,13,15)/t10-/m0/s1
InChIKeyTYILRWKOBWOVII-JTQLQIEISA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2S)-N-tert-butyl-2-hydroxy-2-phenylacetamide (CID 11009109) is (2S)-N-tert-butyl-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2S)-N-tert-butyl-2-hydroxy-2-phenylacetamide is CC(C)(C)NC(=O)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S)-N-tert-butyl-2-hydroxy-2-phenylacetamide?
The InChIKey is TYILRWKOBWOVII-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,3)13-11(15)10(14)9-7-5-4-6-8-9/h4-8,10,14H,1-3H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-hydroxy-2-phenylacetamide?
(2S)-N-tert-butyl-2-hydroxy-2-phenylacetamide has a molecular weight of 207.27 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 11009109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).