N-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide

C13H23NO — CID 3110817

IUPACN-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide
SMILESCC(=O)N(C)CC1C(C)C=C(C)CC1C
InChIInChI=1S/C13H23NO/c1-9-6-10(2)13(11(3)7-9)8-14(5)12(4)15/h6,10-11,13H,7-8H2,1-5H3
InChIKeyCOCCDELCQAVHHZ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.70
Rot. Bonds2

About N-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide

N-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide (PubChem CID 3110817) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide
PubChem CID3110817
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide
SMILESCC(=O)N(C)CC1C(C)C=C(C)CC1C
InChIInChI=1S/C13H23NO/c1-9-6-10(2)13(11(3)7-9)8-14(5)12(4)15/h6,10-11,13H,7-8H2,1-5H3
InChIKeyCOCCDELCQAVHHZ-UHFFFAOYSA-N
XLogP2.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide?
The IUPAC name of N-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide (CID 3110817) is N-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide?
The canonical SMILES for N-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide is CC(=O)N(C)CC1C(C)C=C(C)CC1C.
What is the InChIKey of N-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide?
The InChIKey is COCCDELCQAVHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9-6-10(2)13(11(3)7-9)8-14(5)12(4)15/h6,10-11,13H,7-8H2,1-5H3.
What are the key properties of N-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide?
N-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide has a molecular weight of 209.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide is sourced from PubChem (CID 3110817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).