N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide

C11H21NO2 — CID 104957388

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide
SMILESCCC(C)C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C11H21NO2/c1-3-8(2)11(14)12-9-6-4-5-7-10(9)13/h8-10,13H,3-7H2,1-2H3,(H,12,14)/t8?,9-,10-/m0/s1
InChIKeySTKJCVXPGOXSIY-AGROOBSYSA-N
MW199.29 g/mol
LogP1.45
Rot. Bonds3

About N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide

N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide (PubChem CID 104957388) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide
PubChem CID104957388
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide
SMILESCCC(C)C(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C11H21NO2/c1-3-8(2)11(14)12-9-6-4-5-7-10(9)13/h8-10,13H,3-7H2,1-2H3,(H,12,14)/t8?,9-,10-/m0/s1
InChIKeySTKJCVXPGOXSIY-AGROOBSYSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylamino)-N-(2-hydroxycycloheptyl)-2-methylpropanamide
CID 113394748
4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylbutanamide
CID 107222022
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 107221502
(2S)-2-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-3-methylpentanamide
CID 107221962
N-[(1R,2R)-2-aminocyclohexyl]-2-methylbutanamide
CID 103805727
2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 107221949
(2S)-N-[(1S,2R)-2-hydroxycyclohexyl]-2-methylsulfanylbutanamide
CID 124855975
N-[(1R,2R)-2-hydroxycyclopentyl]-2-methylpropanamide
CID 138722563
N-(2-hydroxycyclopentyl)-2-(hydroxymethyl)butanamide
CID 70915127
N-cyclopentyl-2-methylbutanamide;methane
CID 159941857
N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride
CID 119609146
N-[(1S,2S)-2-hydroxycyclohexyl]-3-methyl-2-phenylpentanamide
CID 104957118

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide (CID 104957388) is N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide is CCC(C)C(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide?
The InChIKey is STKJCVXPGOXSIY-AGROOBSYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-8(2)11(14)12-9-6-4-5-7-10(9)13/h8-10,13H,3-7H2,1-2H3,(H,12,14)/t8?,9-,10-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide?
N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide has a molecular weight of 199.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-hydroxycyclohexyl]-2-methylbutanamide is sourced from PubChem (CID 104957388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).