N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylquinolin-8-yl)oxyacetamide

C20H24N2O2 — CID 2546477

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylquinolin-8-yl)oxyacetamide
SMILESCc1ccc2cccc(OCC(=O)NCCC3=CCCCC3)c2n1
InChIInChI=1S/C20H24N2O2/c1-15-10-11-17-8-5-9-18(20(17)22-15)24-14-19(23)21-13-12-16-6-3-2-4-7-16/h5-6,8-11H,2-4,7,12-14H2,1H3,(H,21,23)
InChIKeyJMZSAKIJTVNTFU-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.93
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylquinolin-8-yl)oxyacetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylquinolin-8-yl)oxyacetamide (PubChem CID 2546477) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylquinolin-8-yl)oxyacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylquinolin-8-yl)oxyacetamide
PubChem CID2546477
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylquinolin-8-yl)oxyacetamide
SMILESCc1ccc2cccc(OCC(=O)NCCC3=CCCCC3)c2n1
InChIInChI=1S/C20H24N2O2/c1-15-10-11-17-8-5-9-18(20(17)22-15)24-14-19(23)21-13-12-16-6-3-2-4-7-16/h5-6,8-11H,2-4,7,12-14H2,1H3,(H,21,23)
InChIKeyJMZSAKIJTVNTFU-UHFFFAOYSA-N
XLogP3.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylquinolin-8-yl)oxyacetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylquinolin-8-yl)oxyacetamide (CID 2546477) is N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylquinolin-8-yl)oxyacetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylquinolin-8-yl)oxyacetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylquinolin-8-yl)oxyacetamide is Cc1ccc2cccc(OCC(=O)NCCC3=CCCCC3)c2n1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylquinolin-8-yl)oxyacetamide?
The InChIKey is JMZSAKIJTVNTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-10-11-17-8-5-9-18(20(17)22-15)24-14-19(23)21-13-12-16-6-3-2-4-7-16/h5-6,8-11H,2-4,7,12-14H2,1H3,(H,21,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylquinolin-8-yl)oxyacetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylquinolin-8-yl)oxyacetamide has a molecular weight of 324.42 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methylquinolin-8-yl)oxyacetamide is sourced from PubChem (CID 2546477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).