N-methyl-N-(2,3,5,5-tetramethylcyclohexen-1-yl)acetamide

C13H23NO — CID 70451518

IUPACN-methyl-N-(2,3,5,5-tetramethylcyclohexen-1-yl)acetamide
SMILESCC(=O)N(C)C1=C(C)C(C)CC(C)(C)C1
InChIInChI=1S/C13H23NO/c1-9-7-13(4,5)8-12(10(9)2)14(6)11(3)15/h9H,7-8H2,1-6H3
InChIKeyLKFLHBLLSKZCDN-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.19
Rot. Bonds1

About N-methyl-N-(2,3,5,5-tetramethylcyclohexen-1-yl)acetamide

N-methyl-N-(2,3,5,5-tetramethylcyclohexen-1-yl)acetamide (PubChem CID 70451518) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-methyl-N-(2,3,5,5-tetramethylcyclohexen-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(2,3,5,5-tetramethylcyclohexen-1-yl)acetamide
PubChem CID70451518
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-methyl-N-(2,3,5,5-tetramethylcyclohexen-1-yl)acetamide
SMILESCC(=O)N(C)C1=C(C)C(C)CC(C)(C)C1
InChIInChI=1S/C13H23NO/c1-9-7-13(4,5)8-12(10(9)2)14(6)11(3)15/h9H,7-8H2,1-6H3
InChIKeyLKFLHBLLSKZCDN-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,3,5,5-tetramethylcyclohexen-1-yl)acetamide?
The IUPAC name of N-methyl-N-(2,3,5,5-tetramethylcyclohexen-1-yl)acetamide (CID 70451518) is N-methyl-N-(2,3,5,5-tetramethylcyclohexen-1-yl)acetamide.
What is the SMILES notation for N-methyl-N-(2,3,5,5-tetramethylcyclohexen-1-yl)acetamide?
The canonical SMILES for N-methyl-N-(2,3,5,5-tetramethylcyclohexen-1-yl)acetamide is CC(=O)N(C)C1=C(C)C(C)CC(C)(C)C1.
What is the InChIKey of N-methyl-N-(2,3,5,5-tetramethylcyclohexen-1-yl)acetamide?
The InChIKey is LKFLHBLLSKZCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9-7-13(4,5)8-12(10(9)2)14(6)11(3)15/h9H,7-8H2,1-6H3.
What are the key properties of N-methyl-N-(2,3,5,5-tetramethylcyclohexen-1-yl)acetamide?
N-methyl-N-(2,3,5,5-tetramethylcyclohexen-1-yl)acetamide has a molecular weight of 209.33 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,3,5,5-tetramethylcyclohexen-1-yl)acetamide is sourced from PubChem (CID 70451518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).