2-methyl-N-(3,3,5-trimethylcyclohexyl)prop-2-enamide

C13H23NO — CID 67022973

IUPAC2-methyl-N-(3,3,5-trimethylcyclohexyl)prop-2-enamide
SMILESC=C(C)C(=O)NC1CC(C)CC(C)(C)C1
InChIInChI=1S/C13H23NO/c1-9(2)12(15)14-11-6-10(3)7-13(4,5)8-11/h10-11H,1,6-8H2,2-5H3,(H,14,15)
InChIKeyNPTQWINMXPLEPC-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.89
Rot. Bonds2

About 2-methyl-N-(3,3,5-trimethylcyclohexyl)prop-2-enamide

2-methyl-N-(3,3,5-trimethylcyclohexyl)prop-2-enamide (PubChem CID 67022973) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-methyl-N-(3,3,5-trimethylcyclohexyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(3,3,5-trimethylcyclohexyl)prop-2-enamide
PubChem CID67022973
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-methyl-N-(3,3,5-trimethylcyclohexyl)prop-2-enamide
SMILESC=C(C)C(=O)NC1CC(C)CC(C)(C)C1
InChIInChI=1S/C13H23NO/c1-9(2)12(15)14-11-6-10(3)7-13(4,5)8-11/h10-11H,1,6-8H2,2-5H3,(H,14,15)
InChIKeyNPTQWINMXPLEPC-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,3,5-trimethylcyclohexyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(3,3,5-trimethylcyclohexyl)prop-2-enamide (CID 67022973) is 2-methyl-N-(3,3,5-trimethylcyclohexyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(3,3,5-trimethylcyclohexyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(3,3,5-trimethylcyclohexyl)prop-2-enamide is C=C(C)C(=O)NC1CC(C)CC(C)(C)C1.
What is the InChIKey of 2-methyl-N-(3,3,5-trimethylcyclohexyl)prop-2-enamide?
The InChIKey is NPTQWINMXPLEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9(2)12(15)14-11-6-10(3)7-13(4,5)8-11/h10-11H,1,6-8H2,2-5H3,(H,14,15).
What are the key properties of 2-methyl-N-(3,3,5-trimethylcyclohexyl)prop-2-enamide?
2-methyl-N-(3,3,5-trimethylcyclohexyl)prop-2-enamide has a molecular weight of 209.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,3,5-trimethylcyclohexyl)prop-2-enamide is sourced from PubChem (CID 67022973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).