(2S,3R)-3-hydroxy-N,N,2-trimethylhexanamide

C9H19NO2 — CID 134939493

IUPAC(2S,3R)-3-hydroxy-N,N,2-trimethylhexanamide
SMILESCCC[C@@H](O)[C@H](C)C(=O)N(C)C
InChIInChI=1S/C9H19NO2/c1-5-6-8(11)7(2)9(12)10(3)4/h7-8,11H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyDAQTXWHSBNJVQX-JGVFFNPUSA-N
MW173.26 g/mol
LogP0.87
Rot. Bonds4

About (2S,3R)-3-hydroxy-N,N,2-trimethylhexanamide

(2S,3R)-3-hydroxy-N,N,2-trimethylhexanamide (PubChem CID 134939493) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-N,N,2-trimethylhexanamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-N,N,2-trimethylhexanamide
PubChem CID134939493
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2S,3R)-3-hydroxy-N,N,2-trimethylhexanamide
SMILESCCC[C@@H](O)[C@H](C)C(=O)N(C)C
InChIInChI=1S/C9H19NO2/c1-5-6-8(11)7(2)9(12)10(3)4/h7-8,11H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyDAQTXWHSBNJVQX-JGVFFNPUSA-N
XLogP0.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-N,N,2-trimethylhexanamide?
The IUPAC name of (2S,3R)-3-hydroxy-N,N,2-trimethylhexanamide (CID 134939493) is (2S,3R)-3-hydroxy-N,N,2-trimethylhexanamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-N,N,2-trimethylhexanamide?
The canonical SMILES for (2S,3R)-3-hydroxy-N,N,2-trimethylhexanamide is CCC[C@@H](O)[C@H](C)C(=O)N(C)C.
What is the InChIKey of (2S,3R)-3-hydroxy-N,N,2-trimethylhexanamide?
The InChIKey is DAQTXWHSBNJVQX-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-6-8(11)7(2)9(12)10(3)4/h7-8,11H,5-6H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of (2S,3R)-3-hydroxy-N,N,2-trimethylhexanamide?
(2S,3R)-3-hydroxy-N,N,2-trimethylhexanamide has a molecular weight of 173.26 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-N,N,2-trimethylhexanamide is sourced from PubChem (CID 134939493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).