N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide

C17H23NO2 — CID 729861

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C17H23NO2/c1-14-7-5-6-10-16(14)20-13-17(19)18-12-11-15-8-3-2-4-9-15/h5-8,10H,2-4,9,11-13H2,1H3,(H,18,19)
InChIKeyYSLGNUBOLKYCJY-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.38
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide (PubChem CID 729861) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
PubChem CID729861
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C17H23NO2/c1-14-7-5-6-10-16(14)20-13-17(19)18-12-11-15-8-3-2-4-9-15/h5-8,10H,2-4,9,11-13H2,1H3,(H,18,19)
InChIKeyYSLGNUBOLKYCJY-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide (CID 729861) is N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is YSLGNUBOLKYCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-14-7-5-6-10-16(14)20-13-17(19)18-12-11-15-8-3-2-4-9-15/h5-8,10H,2-4,9,11-13H2,1H3,(H,18,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 273.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 729861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).