N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N,2-dimethylpropanamide

C11H23NO2 — CID 153298853

IUPACN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N,2-dimethylpropanamide
SMILESCC(C)C[C@@H](CO)N(C)C(=O)C(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)6-10(7-13)12(5)11(14)9(3)4/h8-10,13H,6-7H2,1-5H3/t10-/m0/s1
InChIKeyWHTCZIIVUUIEJK-JTQLQIEISA-N
MW201.31 g/mol
LogP1.51
Rot. Bonds5

About N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N,2-dimethylpropanamide

N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N,2-dimethylpropanamide (PubChem CID 153298853) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N,2-dimethylpropanamide
PubChem CID153298853
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N,2-dimethylpropanamide
SMILESCC(C)C[C@@H](CO)N(C)C(=O)C(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)6-10(7-13)12(5)11(14)9(3)4/h8-10,13H,6-7H2,1-5H3/t10-/m0/s1
InChIKeyWHTCZIIVUUIEJK-JTQLQIEISA-N
XLogP1.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-propyl-1,4-diazepan-5-one
CID 24789461
4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-methyl-1,4-diazepan-5-one
CID 24816471
US10214537, Example 142
CID 132220325
4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(2-methylpropyl)-1,4-diazepan-5-one
CID 24761261
N-[2-(1-hydroxy-4-methylpentyl)]acetamide
CID 25759525
CID 53833043
CID 53833043
N-isovaleryl-l-prolinol
CID 28345604
N-cyclobutyl-2-ethyl-N-(2-hydroxyethyl)butanamide
CID 102867421
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]propanamide
CID 39236462
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-prop-2-enylacetamide
CID 135072444
2-Fluoro-N-[(2S)-1-hydroxypropan-2-yl]-N,3-dimethylbutanamide
CID 165350423
4-(1-Hydroxy-4-methylpentan-2-yl)-1-propyl-1,4-diazepan-5-one
CID 73759185

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N,2-dimethylpropanamide?
The IUPAC name of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N,2-dimethylpropanamide (CID 153298853) is N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N,2-dimethylpropanamide is CC(C)C[C@@H](CO)N(C)C(=O)C(C)C.
What is the InChIKey of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N,2-dimethylpropanamide?
The InChIKey is WHTCZIIVUUIEJK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)6-10(7-13)12(5)11(14)9(3)4/h8-10,13H,6-7H2,1-5H3/t10-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N,2-dimethylpropanamide?
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N,2-dimethylpropanamide has a molecular weight of 201.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N,2-dimethylpropanamide is sourced from PubChem (CID 153298853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).