(2R,3R)-3-cyclohexyl-3-hydroxy-N,N,2-trimethylpropanamide

C12H23NO2 — CID 14930114

IUPAC(2R,3R)-3-cyclohexyl-3-hydroxy-N,N,2-trimethylpropanamide
SMILESC[C@@H](C(=O)N(C)C)[C@H](O)C1CCCCC1
InChIInChI=1S/C12H23NO2/c1-9(12(15)13(2)3)11(14)10-7-5-4-6-8-10/h9-11,14H,4-8H2,1-3H3/t9-,11+/m1/s1
InChIKeyFFLXGTSHTCTHAN-KOLCDFICSA-N
MW213.32 g/mol
LogP1.65
Rot. Bonds3

About (2R,3R)-3-cyclohexyl-3-hydroxy-N,N,2-trimethylpropanamide

(2R,3R)-3-cyclohexyl-3-hydroxy-N,N,2-trimethylpropanamide (PubChem CID 14930114) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (2R,3R)-3-cyclohexyl-3-hydroxy-N,N,2-trimethylpropanamide.

Molecular Properties

Compound Name(2R,3R)-3-cyclohexyl-3-hydroxy-N,N,2-trimethylpropanamide
PubChem CID14930114
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(2R,3R)-3-cyclohexyl-3-hydroxy-N,N,2-trimethylpropanamide
SMILESC[C@@H](C(=O)N(C)C)[C@H](O)C1CCCCC1
InChIInChI=1S/C12H23NO2/c1-9(12(15)13(2)3)11(14)10-7-5-4-6-8-10/h9-11,14H,4-8H2,1-3H3/t9-,11+/m1/s1
InChIKeyFFLXGTSHTCTHAN-KOLCDFICSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-cyclohexyl-3-hydroxy-N,N,2-trimethylpropanamide?
The IUPAC name of (2R,3R)-3-cyclohexyl-3-hydroxy-N,N,2-trimethylpropanamide (CID 14930114) is (2R,3R)-3-cyclohexyl-3-hydroxy-N,N,2-trimethylpropanamide.
What is the SMILES notation for (2R,3R)-3-cyclohexyl-3-hydroxy-N,N,2-trimethylpropanamide?
The canonical SMILES for (2R,3R)-3-cyclohexyl-3-hydroxy-N,N,2-trimethylpropanamide is C[C@@H](C(=O)N(C)C)[C@H](O)C1CCCCC1.
What is the InChIKey of (2R,3R)-3-cyclohexyl-3-hydroxy-N,N,2-trimethylpropanamide?
The InChIKey is FFLXGTSHTCTHAN-KOLCDFICSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(12(15)13(2)3)11(14)10-7-5-4-6-8-10/h9-11,14H,4-8H2,1-3H3/t9-,11+/m1/s1.
What are the key properties of (2R,3R)-3-cyclohexyl-3-hydroxy-N,N,2-trimethylpropanamide?
(2R,3R)-3-cyclohexyl-3-hydroxy-N,N,2-trimethylpropanamide has a molecular weight of 213.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-cyclohexyl-3-hydroxy-N,N,2-trimethylpropanamide is sourced from PubChem (CID 14930114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).