N-(2-hydroxycyclohexyl)-N-methylacetamide

C9H17NO2 — CID 102634488

IUPACN-(2-hydroxycyclohexyl)-N-methylacetamide
SMILESCC(=O)N(C)C1CCCCC1O
InChIInChI=1S/C9H17NO2/c1-7(11)10(2)8-5-3-4-6-9(8)12/h8-9,12H,3-6H2,1-2H3
InChIKeyXJSAEKRJIQILBJ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.77
Rot. Bonds1

About N-(2-hydroxycyclohexyl)-N-methylacetamide

N-(2-hydroxycyclohexyl)-N-methylacetamide (PubChem CID 102634488) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N-methylacetamide
PubChem CID102634488
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(2-hydroxycyclohexyl)-N-methylacetamide
SMILESCC(=O)N(C)C1CCCCC1O
InChIInChI=1S/C9H17NO2/c1-7(11)10(2)8-5-3-4-6-9(8)12/h8-9,12H,3-6H2,1-2H3
InChIKeyXJSAEKRJIQILBJ-UHFFFAOYSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N-methylacetamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N-methylacetamide (CID 102634488) is N-(2-hydroxycyclohexyl)-N-methylacetamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N-methylacetamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N-methylacetamide is CC(=O)N(C)C1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N-methylacetamide?
The InChIKey is XJSAEKRJIQILBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(11)10(2)8-5-3-4-6-9(8)12/h8-9,12H,3-6H2,1-2H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N-methylacetamide?
N-(2-hydroxycyclohexyl)-N-methylacetamide has a molecular weight of 171.24 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N-methylacetamide is sourced from PubChem (CID 102634488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).