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

C17H20N2O2 — CID 2706736

IUPAC2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESN#Cc1ccccc1OCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C17H20N2O2/c18-12-15-8-4-5-9-16(15)21-13-17(20)19-11-10-14-6-2-1-3-7-14/h4-6,8-9H,1-3,7,10-11,13H2,(H,19,20)
InChIKeyRLWKQIJVRLKEQN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.94
Rot. Bonds6

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

2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 2706736) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID2706736
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESN#Cc1ccccc1OCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C17H20N2O2/c18-12-15-8-4-5-9-16(15)21-13-17(20)19-11-10-14-6-2-1-3-7-14/h4-6,8-9H,1-3,7,10-11,13H2,(H,19,20)
InChIKeyRLWKQIJVRLKEQN-UHFFFAOYSA-N
XLogP2.94
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7382518
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dichlorophenoxy)acetamide
CID 2483307
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
2-(2-cyanophenoxy)-N-(2-cyclopentylethyl)acetamide
CID 60731847
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 703716
2-(2-cyanophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2565568
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 837554
2-(4-anilinophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 18225951
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 26054504
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 177377392
2-(2-cyanophenyl)sulfanyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 1313353
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 730729

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 2706736) is 2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is N#Cc1ccccc1OCC(=O)NCCC1=CCCCC1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is RLWKQIJVRLKEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c18-12-15-8-4-5-9-16(15)21-13-17(20)19-11-10-14-6-2-1-3-7-14/h4-6,8-9H,1-3,7,10-11,13H2,(H,19,20).
What are the key properties of 2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 284.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 2706736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).