2-(cyclohexen-1-yl)-N,N-diethyl-2-hydroxypropanamide

C13H23NO2 — CID 101364878

IUPAC2-(cyclohexen-1-yl)-N,N-diethyl-2-hydroxypropanamide
SMILESCCN(CC)C(=O)C(C)(O)C1=CCCCC1
InChIInChI=1S/C13H23NO2/c1-4-14(5-2)12(15)13(3,16)11-9-7-6-8-10-11/h9,16H,4-8,10H2,1-3H3
InChIKeyYTXHTBFEJMNKLE-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.11
Rot. Bonds4

About 2-(cyclohexen-1-yl)-N,N-diethyl-2-hydroxypropanamide

2-(cyclohexen-1-yl)-N,N-diethyl-2-hydroxypropanamide (PubChem CID 101364878) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N,N-diethyl-2-hydroxypropanamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N,N-diethyl-2-hydroxypropanamide
PubChem CID101364878
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-(cyclohexen-1-yl)-N,N-diethyl-2-hydroxypropanamide
SMILESCCN(CC)C(=O)C(C)(O)C1=CCCCC1
InChIInChI=1S/C13H23NO2/c1-4-14(5-2)12(15)13(3,16)11-9-7-6-8-10-11/h9,16H,4-8,10H2,1-3H3
InChIKeyYTXHTBFEJMNKLE-UHFFFAOYSA-N
XLogP2.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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,N-diethyl-2-hydroxypropanamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N,N-diethyl-2-hydroxypropanamide (CID 101364878) is 2-(cyclohexen-1-yl)-N,N-diethyl-2-hydroxypropanamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N,N-diethyl-2-hydroxypropanamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N,N-diethyl-2-hydroxypropanamide is CCN(CC)C(=O)C(C)(O)C1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N,N-diethyl-2-hydroxypropanamide?
The InChIKey is YTXHTBFEJMNKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-14(5-2)12(15)13(3,16)11-9-7-6-8-10-11/h9,16H,4-8,10H2,1-3H3.
What are the key properties of 2-(cyclohexen-1-yl)-N,N-diethyl-2-hydroxypropanamide?
2-(cyclohexen-1-yl)-N,N-diethyl-2-hydroxypropanamide has a molecular weight of 225.33 g/mol, XLogP of 2.11, 4 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,N-diethyl-2-hydroxypropanamide is sourced from PubChem (CID 101364878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).