N-[2-(3,4,5-trimethylcyclohexen-1-yl)ethyl]acetamide

C13H23NO — CID 167291658

IUPACN-[2-(3,4,5-trimethylcyclohexen-1-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=CC(C)C(C)C(C)C1
InChIInChI=1S/C13H23NO/c1-9-7-13(5-6-14-12(4)15)8-10(2)11(9)3/h7,9-11H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyDLGMNHAMNOINRQ-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.75
Rot. Bonds3

About N-[2-(3,4,5-trimethylcyclohexen-1-yl)ethyl]acetamide

N-[2-(3,4,5-trimethylcyclohexen-1-yl)ethyl]acetamide (PubChem CID 167291658) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[2-(3,4,5-trimethylcyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4,5-trimethylcyclohexen-1-yl)ethyl]acetamide
PubChem CID167291658
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[2-(3,4,5-trimethylcyclohexen-1-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=CC(C)C(C)C(C)C1
InChIInChI=1S/C13H23NO/c1-9-7-13(5-6-14-12(4)15)8-10(2)11(9)3/h7,9-11H,5-6,8H2,1-4H3,(H,14,15)
InChIKeyDLGMNHAMNOINRQ-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4,5-trimethylcyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(3,4,5-trimethylcyclohexen-1-yl)ethyl]acetamide (CID 167291658) is N-[2-(3,4,5-trimethylcyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(3,4,5-trimethylcyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(3,4,5-trimethylcyclohexen-1-yl)ethyl]acetamide is CC(=O)NCCC1=CC(C)C(C)C(C)C1.
What is the InChIKey of N-[2-(3,4,5-trimethylcyclohexen-1-yl)ethyl]acetamide?
The InChIKey is DLGMNHAMNOINRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9-7-13(5-6-14-12(4)15)8-10(2)11(9)3/h7,9-11H,5-6,8H2,1-4H3,(H,14,15).
What are the key properties of N-[2-(3,4,5-trimethylcyclohexen-1-yl)ethyl]acetamide?
N-[2-(3,4,5-trimethylcyclohexen-1-yl)ethyl]acetamide has a molecular weight of 209.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4,5-trimethylcyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 167291658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).