2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide

C13H23NO2 — CID 63565549

IUPAC2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)CC1=CCCCC1
InChIInChI=1S/C13H23NO2/c1-11(2)14(8-9-15)13(16)10-12-6-4-3-5-7-12/h6,11,15H,3-5,7-10H2,1-2H3
InChIKeyYLUCNDUNOOPLCS-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.11
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide

2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide (PubChem CID 63565549) 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-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
PubChem CID63565549
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)CC1=CCCCC1
InChIInChI=1S/C13H23NO2/c1-11(2)14(8-9-15)13(16)10-12-6-4-3-5-7-12/h6,11,15H,3-5,7-10H2,1-2H3
InChIKeyYLUCNDUNOOPLCS-UHFFFAOYSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-propan-2-ylacetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide (CID 63565549) is 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide is CC(C)N(CCO)C(=O)CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The InChIKey is YLUCNDUNOOPLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11(2)14(8-9-15)13(16)10-12-6-4-3-5-7-12/h6,11,15H,3-5,7-10H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
2-(cyclohexen-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide has a molecular weight of 225.33 g/mol, XLogP of 2.11, 5 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-propan-2-ylacetamide is sourced from PubChem (CID 63565549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).