N-(2,3-dimethylcyclohexyl)-2-methylpropanamide

C12H23NO — CID 45353039

IUPACN-(2,3-dimethylcyclohexyl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCC(C)C1C
InChIInChI=1S/C12H23NO/c1-8(2)12(14)13-11-7-5-6-9(3)10(11)4/h8-11H,5-7H2,1-4H3,(H,13,14)
InChIKeyBETSLGLYFYYDKE-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.58
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-2-methylpropanamide

N-(2,3-dimethylcyclohexyl)-2-methylpropanamide (PubChem CID 45353039) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-methylpropanamide
PubChem CID45353039
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCCC(C)C1C
InChIInChI=1S/C12H23NO/c1-8(2)12(14)13-11-7-5-6-9(3)10(11)4/h8-11H,5-7H2,1-4H3,(H,13,14)
InChIKeyBETSLGLYFYYDKE-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-methylpropanamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-methylpropanamide (CID 45353039) is N-(2,3-dimethylcyclohexyl)-2-methylpropanamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-methylpropanamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-methylpropanamide is CC(C)C(=O)NC1CCCC(C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-methylpropanamide?
The InChIKey is BETSLGLYFYYDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-8(2)12(14)13-11-7-5-6-9(3)10(11)4/h8-11H,5-7H2,1-4H3,(H,13,14).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-methylpropanamide?
N-(2,3-dimethylcyclohexyl)-2-methylpropanamide has a molecular weight of 197.32 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-methylpropanamide is sourced from PubChem (CID 45353039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).