2-cyclopent-2-en-1-yl-N-(2-ethyl-2-hydroxybutyl)acetamide

C13H23NO2 — CID 65113826

IUPAC2-cyclopent-2-en-1-yl-N-(2-ethyl-2-hydroxybutyl)acetamide
SMILESCCC(O)(CC)CNC(=O)CC1C=CCC1
InChIInChI=1S/C13H23NO2/c1-3-13(16,4-2)10-14-12(15)9-11-7-5-6-8-11/h5,7,11,16H,3-4,6,8-10H2,1-2H3,(H,14,15)
InChIKeyAJNGRXCSJMNKAA-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.01
Rot. Bonds6

About 2-cyclopent-2-en-1-yl-N-(2-ethyl-2-hydroxybutyl)acetamide

2-cyclopent-2-en-1-yl-N-(2-ethyl-2-hydroxybutyl)acetamide (PubChem CID 65113826) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-(2-ethyl-2-hydroxybutyl)acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-(2-ethyl-2-hydroxybutyl)acetamide
PubChem CID65113826
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-cyclopent-2-en-1-yl-N-(2-ethyl-2-hydroxybutyl)acetamide
SMILESCCC(O)(CC)CNC(=O)CC1C=CCC1
InChIInChI=1S/C13H23NO2/c1-3-13(16,4-2)10-14-12(15)9-11-7-5-6-8-11/h5,7,11,16H,3-4,6,8-10H2,1-2H3,(H,14,15)
InChIKeyAJNGRXCSJMNKAA-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-cyclopent-2-en-1-yl-N-(2-ethyl-2-hydroxybutyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopent-2-en-1-yl-N-(2-hydroxy-2-propylpentyl)acetamide
CID 111444858
2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 103604609
2-cycloheptyl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 115681303
2-cyclopent-2-en-1-yl-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111479112
N-(3-aminopropyl)-2-cyclopent-2-en-1-ylacetamide
CID 62268451
2-cyclopent-2-en-1-yl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide
CID 65121375
N-(2-amino-3-hydroxybutyl)-2-cyclopent-2-en-1-ylacetamide
CID 64539561
2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide
CID 97068704
2-[(1R)-cyclopent-2-en-1-yl]-N-[(2S)-2-hydroxy-4-methylpentyl]acetamide
CID 97079501
2-(cyclopentylamino)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65106565
2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 24696738
(2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 78972953

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-(2-ethyl-2-hydroxybutyl)acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-(2-ethyl-2-hydroxybutyl)acetamide (CID 65113826) is 2-cyclopent-2-en-1-yl-N-(2-ethyl-2-hydroxybutyl)acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-(2-ethyl-2-hydroxybutyl)acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-(2-ethyl-2-hydroxybutyl)acetamide is CCC(O)(CC)CNC(=O)CC1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-(2-ethyl-2-hydroxybutyl)acetamide?
The InChIKey is AJNGRXCSJMNKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-13(16,4-2)10-14-12(15)9-11-7-5-6-8-11/h5,7,11,16H,3-4,6,8-10H2,1-2H3,(H,14,15).
What are the key properties of 2-cyclopent-2-en-1-yl-N-(2-ethyl-2-hydroxybutyl)acetamide?
2-cyclopent-2-en-1-yl-N-(2-ethyl-2-hydroxybutyl)acetamide has a molecular weight of 225.33 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-(2-ethyl-2-hydroxybutyl)acetamide is sourced from PubChem (CID 65113826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).