N-(3-acetamido-3,5,5-trimethylcyclohexyl)acetamide

C13H24N2O2 — CID 20647612

IUPACN-(3-acetamido-3,5,5-trimethylcyclohexyl)acetamide
SMILESCC(=O)NC1CC(C)(C)CC(C)(NC(C)=O)C1
InChIInChI=1S/C13H24N2O2/c1-9(16)14-11-6-12(3,4)8-13(5,7-11)15-10(2)17/h11H,6-8H2,1-5H3,(H,14,16)(H,15,17)
InChIKeyJTZLBULSGGDWAW-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.60
Rot. Bonds2

About N-(3-acetamido-3,5,5-trimethylcyclohexyl)acetamide

N-(3-acetamido-3,5,5-trimethylcyclohexyl)acetamide (PubChem CID 20647612) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(3-acetamido-3,5,5-trimethylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-3,5,5-trimethylcyclohexyl)acetamide
PubChem CID20647612
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-(3-acetamido-3,5,5-trimethylcyclohexyl)acetamide
SMILESCC(=O)NC1CC(C)(C)CC(C)(NC(C)=O)C1
InChIInChI=1S/C13H24N2O2/c1-9(16)14-11-6-12(3,4)8-13(5,7-11)15-10(2)17/h11H,6-8H2,1-5H3,(H,14,16)(H,15,17)
InChIKeyJTZLBULSGGDWAW-UHFFFAOYSA-N
XLogP1.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-3,5,5-trimethylcyclohexyl)acetamide?
The IUPAC name of N-(3-acetamido-3,5,5-trimethylcyclohexyl)acetamide (CID 20647612) is N-(3-acetamido-3,5,5-trimethylcyclohexyl)acetamide.
What is the SMILES notation for N-(3-acetamido-3,5,5-trimethylcyclohexyl)acetamide?
The canonical SMILES for N-(3-acetamido-3,5,5-trimethylcyclohexyl)acetamide is CC(=O)NC1CC(C)(C)CC(C)(NC(C)=O)C1.
What is the InChIKey of N-(3-acetamido-3,5,5-trimethylcyclohexyl)acetamide?
The InChIKey is JTZLBULSGGDWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(16)14-11-6-12(3,4)8-13(5,7-11)15-10(2)17/h11H,6-8H2,1-5H3,(H,14,16)(H,15,17).
What are the key properties of N-(3-acetamido-3,5,5-trimethylcyclohexyl)acetamide?
N-(3-acetamido-3,5,5-trimethylcyclohexyl)acetamide has a molecular weight of 240.35 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-3,5,5-trimethylcyclohexyl)acetamide is sourced from PubChem (CID 20647612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).