(2S)-2-amino-N-(4-hydroxypentan-2-yl)-2-phenylacetamide

C13H20N2O2 — CID 104898348

IUPAC(2S)-2-amino-N-(4-hydroxypentan-2-yl)-2-phenylacetamide
SMILESCC(O)CC(C)NC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-9(8-10(2)16)15-13(17)12(14)11-6-4-3-5-7-11/h3-7,9-10,12,16H,8,14H2,1-2H3,(H,15,17)/t9?,10?,12-/m0/s1
InChIKeyXNHJYFNLIHYDFW-CBINBANVSA-N
MW236.31 g/mol
LogP0.96
Rot. Bonds5

About (2S)-2-amino-N-(4-hydroxypentan-2-yl)-2-phenylacetamide

(2S)-2-amino-N-(4-hydroxypentan-2-yl)-2-phenylacetamide (PubChem CID 104898348) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-hydroxypentan-2-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-hydroxypentan-2-yl)-2-phenylacetamide
PubChem CID104898348
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(2S)-2-amino-N-(4-hydroxypentan-2-yl)-2-phenylacetamide
SMILESCC(O)CC(C)NC(=O)[C@@H](N)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-9(8-10(2)16)15-13(17)12(14)11-6-4-3-5-7-11/h3-7,9-10,12,16H,8,14H2,1-2H3,(H,15,17)/t9?,10?,12-/m0/s1
InChIKeyXNHJYFNLIHYDFW-CBINBANVSA-N
XLogP0.96
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2R)-1-hydroxypropan-2-yl]-2-phenylacetamide
CID 107218501
2-amino-N-(5-methylhexan-2-yl)-2-phenylacetamide
CID 43579340
(2S)-2-amino-N-pentan-2-yl-2-phenylacetamide
CID 104897097
2-amino-N-(4-hydroxy-4-phenylbutan-2-yl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668952
2-amino-2-phenyl-N-(4-phenylbutan-2-yl)acetamide
CID 61254237
5-[(2-amino-2-phenylacetyl)amino]hexanoic acid
CID 82845613
5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid
CID 82847398
2-amino-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 22262716
(2S)-2-amino-N-[1-(2-methylphenyl)propan-2-yl]-2-phenylacetamide
CID 104897382
(2S)-2-amino-N-octan-2-yl-2-phenylacetamide
CID 104897331
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-2-phenylacetamide
CID 93083385
2-amino-N-(1-cyclopropylpropan-2-yl)-2-phenylacetamide;hydrochloride
CID 119324224

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-hydroxypentan-2-yl)-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-(4-hydroxypentan-2-yl)-2-phenylacetamide (CID 104898348) is (2S)-2-amino-N-(4-hydroxypentan-2-yl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-(4-hydroxypentan-2-yl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-(4-hydroxypentan-2-yl)-2-phenylacetamide is CC(O)CC(C)NC(=O)[C@@H](N)c1ccccc1.
What is the InChIKey of (2S)-2-amino-N-(4-hydroxypentan-2-yl)-2-phenylacetamide?
The InChIKey is XNHJYFNLIHYDFW-CBINBANVSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9(8-10(2)16)15-13(17)12(14)11-6-4-3-5-7-11/h3-7,9-10,12,16H,8,14H2,1-2H3,(H,15,17)/t9?,10?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-hydroxypentan-2-yl)-2-phenylacetamide?
(2S)-2-amino-N-(4-hydroxypentan-2-yl)-2-phenylacetamide has a molecular weight of 236.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-hydroxypentan-2-yl)-2-phenylacetamide is sourced from PubChem (CID 104898348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).