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

C15H26N2O2 — CID 3226623

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESO=C(CNCC1CCCO1)NCCC1=CCCCC1
InChIInChI=1S/C15H26N2O2/c18-15(12-16-11-14-7-4-10-19-14)17-9-8-13-5-2-1-3-6-13/h5,14,16H,1-4,6-12H2,(H,17,18)
InChIKeyGDQJIWURJGGISV-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.76
Rot. Bonds7

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

N-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 3226623) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID3226623
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESO=C(CNCC1CCCO1)NCCC1=CCCCC1
InChIInChI=1S/C15H26N2O2/c18-15(12-16-11-14-7-4-10-19-14)17-9-8-13-5-2-1-3-6-13/h5,14,16H,1-4,6-12H2,(H,17,18)
InChIKeyGDQJIWURJGGISV-UHFFFAOYSA-N
XLogP1.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.76
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-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide (CID 3226623) is N-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide is O=C(CNCC1CCCO1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is GDQJIWURJGGISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c18-15(12-16-11-14-7-4-10-19-14)17-9-8-13-5-2-1-3-6-13/h5,14,16H,1-4,6-12H2,(H,17,18).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 266.38 g/mol, XLogP of 1.76, 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-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 3226623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).