N-[2-(cyclohexen-1-yl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide

C13H24N2O2 — CID 60683584

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
SMILESCN(CCO)CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H24N2O2/c1-15(9-10-16)11-13(17)14-8-7-12-5-3-2-4-6-12/h5,16H,2-4,6-11H2,1H3,(H,14,17)
InChIKeyXQZKNSUBVVVFDA-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.92
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide (PubChem CID 60683584) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
PubChem CID60683584
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
SMILESCN(CCO)CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H24N2O2/c1-15(9-10-16)11-13(17)14-8-7-12-5-3-2-4-6-12/h5,16H,2-4,6-11H2,1H3,(H,14,17)
InChIKeyXQZKNSUBVVVFDA-UHFFFAOYSA-N
XLogP0.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
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-hydroxyethyl(methyl)amino]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide (CID 60683584) is N-[2-(cyclohexen-1-yl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide is CN(CCO)CC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide?
The InChIKey is XQZKNSUBVVVFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-15(9-10-16)11-13(17)14-8-7-12-5-3-2-4-6-12/h5,16H,2-4,6-11H2,1H3,(H,14,17).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-hydroxyethyl(methyl)amino]acetamide has a molecular weight of 240.35 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 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-hydroxyethyl(methyl)amino]acetamide is sourced from PubChem (CID 60683584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).