N-(3,3,6,6-tetramethylcycloheptyl)acetamide

C13H25NO — CID 142825671

IUPACN-(3,3,6,6-tetramethylcycloheptyl)acetamide
SMILESCC(=O)NC1CC(C)(C)CCC(C)(C)C1
InChIInChI=1S/C13H25NO/c1-10(15)14-11-8-12(2,3)6-7-13(4,5)9-11/h11H,6-9H2,1-5H3,(H,14,15)
InChIKeyXELPXVVWNARCLK-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.12
Rot. Bonds1

About N-(3,3,6,6-tetramethylcycloheptyl)acetamide

N-(3,3,6,6-tetramethylcycloheptyl)acetamide (PubChem CID 142825671) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(3,3,6,6-tetramethylcycloheptyl)acetamide.

Molecular Properties

Compound NameN-(3,3,6,6-tetramethylcycloheptyl)acetamide
PubChem CID142825671
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(3,3,6,6-tetramethylcycloheptyl)acetamide
SMILESCC(=O)NC1CC(C)(C)CCC(C)(C)C1
InChIInChI=1S/C13H25NO/c1-10(15)14-11-8-12(2,3)6-7-13(4,5)9-11/h11H,6-9H2,1-5H3,(H,14,15)
InChIKeyXELPXVVWNARCLK-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,6,6-tetramethylcycloheptyl)acetamide?
The IUPAC name of N-(3,3,6,6-tetramethylcycloheptyl)acetamide (CID 142825671) is N-(3,3,6,6-tetramethylcycloheptyl)acetamide.
What is the SMILES notation for N-(3,3,6,6-tetramethylcycloheptyl)acetamide?
The canonical SMILES for N-(3,3,6,6-tetramethylcycloheptyl)acetamide is CC(=O)NC1CC(C)(C)CCC(C)(C)C1.
What is the InChIKey of N-(3,3,6,6-tetramethylcycloheptyl)acetamide?
The InChIKey is XELPXVVWNARCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(15)14-11-8-12(2,3)6-7-13(4,5)9-11/h11H,6-9H2,1-5H3,(H,14,15).
What are the key properties of N-(3,3,6,6-tetramethylcycloheptyl)acetamide?
N-(3,3,6,6-tetramethylcycloheptyl)acetamide has a molecular weight of 211.35 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,6,6-tetramethylcycloheptyl)acetamide is sourced from PubChem (CID 142825671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).