N-(3-hydroxy-3-methylcyclohexyl)acetamide

C9H17NO2 — CID 139373491

IUPACN-(3-hydroxy-3-methylcyclohexyl)acetamide
SMILESCC(=O)NC1CCCC(C)(O)C1
InChIInChI=1S/C9H17NO2/c1-7(11)10-8-4-3-5-9(2,12)6-8/h8,12H,3-6H2,1-2H3,(H,10,11)
InChIKeyCVYLRKYVZLVLGX-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.82
Rot. Bonds1

About N-(3-hydroxy-3-methylcyclohexyl)acetamide

N-(3-hydroxy-3-methylcyclohexyl)acetamide (PubChem CID 139373491) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(3-hydroxy-3-methylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-methylcyclohexyl)acetamide
PubChem CID139373491
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(3-hydroxy-3-methylcyclohexyl)acetamide
SMILESCC(=O)NC1CCCC(C)(O)C1
InChIInChI=1S/C9H17NO2/c1-7(11)10-8-4-3-5-9(2,12)6-8/h8,12H,3-6H2,1-2H3,(H,10,11)
InChIKeyCVYLRKYVZLVLGX-UHFFFAOYSA-N
XLogP0.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-methylcyclohexyl)acetamide?
The IUPAC name of N-(3-hydroxy-3-methylcyclohexyl)acetamide (CID 139373491) is N-(3-hydroxy-3-methylcyclohexyl)acetamide.
What is the SMILES notation for N-(3-hydroxy-3-methylcyclohexyl)acetamide?
The canonical SMILES for N-(3-hydroxy-3-methylcyclohexyl)acetamide is CC(=O)NC1CCCC(C)(O)C1.
What is the InChIKey of N-(3-hydroxy-3-methylcyclohexyl)acetamide?
The InChIKey is CVYLRKYVZLVLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(11)10-8-4-3-5-9(2,12)6-8/h8,12H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-(3-hydroxy-3-methylcyclohexyl)acetamide?
N-(3-hydroxy-3-methylcyclohexyl)acetamide has a molecular weight of 171.24 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-methylcyclohexyl)acetamide is sourced from PubChem (CID 139373491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).