N-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide

C11H21NO2 — CID 59042998

IUPACN-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C11H21NO2/c1-8(2)11(14)12-7-9-5-3-4-6-10(9)13/h8-10,13H,3-7H2,1-2H3,(H,12,14)/t9-,10-/m0/s1
InChIKeyBUINCTBJKBLFDU-UWVGGRQHSA-N
MW199.29 g/mol
LogP1.31
Rot. Bonds3

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

N-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide (PubChem CID 59042998) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide
PubChem CID59042998
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C11H21NO2/c1-8(2)11(14)12-7-9-5-3-4-6-10(9)13/h8-10,13H,3-7H2,1-2H3,(H,12,14)/t9-,10-/m0/s1
InChIKeyBUINCTBJKBLFDU-UWVGGRQHSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide (CID 59042998) is N-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide is CC(C)C(=O)NC[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of N-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide?
The InChIKey is BUINCTBJKBLFDU-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)11(14)12-7-9-5-3-4-6-10(9)13/h8-10,13H,3-7H2,1-2H3,(H,12,14)/t9-,10-/m0/s1.
What are the key properties of N-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide?
N-[[(1S,2S)-2-hydroxycyclohexyl]methyl]-2-methylpropanamide has a molecular weight of 199.29 g/mol, XLogP of 1.31, 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]methyl]-2-methylpropanamide is sourced from PubChem (CID 59042998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).