2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propylacetamide

C13H23NO2 — CID 63563280

IUPAC2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propylacetamide
SMILESCCCN(CCO)C(=O)CC1=CCCCC1
InChIInChI=1S/C13H23NO2/c1-2-8-14(9-10-15)13(16)11-12-6-4-3-5-7-12/h6,15H,2-5,7-11H2,1H3
InChIKeyOMZACPUYTAYMGE-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.11
Rot. Bonds6

About 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propylacetamide

2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propylacetamide (PubChem CID 63563280) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propylacetamide
PubChem CID63563280
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propylacetamide
SMILESCCCN(CCO)C(=O)CC1=CCCCC1
InChIInChI=1S/C13H23NO2/c1-2-8-14(9-10-15)13(16)11-12-6-4-3-5-7-12/h6,15H,2-5,7-11H2,1H3
InChIKeyOMZACPUYTAYMGE-UHFFFAOYSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propylacetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propylacetamide (CID 63563280) is 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propylacetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propylacetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propylacetamide is CCCN(CCO)C(=O)CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propylacetamide?
The InChIKey is OMZACPUYTAYMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-8-14(9-10-15)13(16)11-12-6-4-3-5-7-12/h6,15H,2-5,7-11H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propylacetamide?
2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propylacetamide has a molecular weight of 225.33 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propylacetamide is sourced from PubChem (CID 63563280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).