2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide

C13H20N2O2S — CID 106247688

IUPAC2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide
SMILESCSCC(C)(O)CNC(=O)C(N)c1ccccc1
InChIInChI=1S/C13H20N2O2S/c1-13(17,9-18-2)8-15-12(16)11(14)10-6-4-3-5-7-10/h3-7,11,17H,8-9,14H2,1-2H3,(H,15,16)
InChIKeyQMZFMYWGQUVTEQ-UHFFFAOYSA-N
MW268.38 g/mol
LogP0.92
Rot. Bonds6

About 2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide

2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide (PubChem CID 106247688) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide
PubChem CID106247688
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide
SMILESCSCC(C)(O)CNC(=O)C(N)c1ccccc1
InChIInChI=1S/C13H20N2O2S/c1-13(17,9-18-2)8-15-12(16)11(14)10-6-4-3-5-7-10/h3-7,11,17H,8-9,14H2,1-2H3,(H,15,16)
InChIKeyQMZFMYWGQUVTEQ-UHFFFAOYSA-N
XLogP0.92
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylbutanamide
CID 103681477
2-amino-N-(2-methyl-2-methylsulfanylpropyl)-2-phenylacetamide
CID 113264228
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-phenylacetamide
CID 106148425
3-[(2-amino-2-phenylacetyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174922
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-phenylacetamide
CID 106254706
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-phenylacetamide
CID 103797832
(2S)-2-amino-N-(2-methyl-2-phenylpropyl)-2-phenylacetamide
CID 104897542
(2S)-2-amino-N-(2-methylsulfanylethyl)-2-phenylacetamide
CID 104897926
2-amino-N-(2,2-diethylbutyl)-2-phenylacetamide
CID 119345468
methyl 3-[(2-amino-2-phenylacetyl)amino]-2,2-dimethylpropanoate
CID 119326915
2-amino-N-(3-methylsulfanylpropyl)-2-phenylacetamide
CID 63960595
2-amino-N-(2,2-diethylbutyl)-2-phenylacetamide;hydrochloride
CID 119345467

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide?
The IUPAC name of 2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide (CID 106247688) is 2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide is CSCC(C)(O)CNC(=O)C(N)c1ccccc1.
What is the InChIKey of 2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide?
The InChIKey is QMZFMYWGQUVTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(17,9-18-2)8-15-12(16)11(14)10-6-4-3-5-7-10/h3-7,11,17H,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide?
2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide has a molecular weight of 268.38 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide is sourced from PubChem (CID 106247688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).