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

C13H24N2O2 — CID 3226626

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H24N2O2/c1-17-10-9-14-11-13(16)15-8-7-12-5-3-2-4-6-12/h5,14H,2-4,6-11H2,1H3,(H,15,16)
InChIKeyMLCHKOKIOKGECY-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.23
Rot. Bonds8

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

N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 3226626) 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-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2-methoxyethylamino)acetamide
PubChem CID3226626
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H24N2O2/c1-17-10-9-14-11-13(16)15-8-7-12-5-3-2-4-6-12/h5,14H,2-4,6-11H2,1H3,(H,15,16)
InChIKeyMLCHKOKIOKGECY-UHFFFAOYSA-N
XLogP1.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methoxyethylamino)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methoxyethylamino)acetamide (CID 3226626) is N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is MLCHKOKIOKGECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-17-10-9-14-11-13(16)15-8-7-12-5-3-2-4-6-12/h5,14H,2-4,6-11H2,1H3,(H,15,16).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methoxyethylamino)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 240.35 g/mol, XLogP of 1.23, 8 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-methoxyethylamino)acetamide is sourced from PubChem (CID 3226626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).