2-cyclopent-2-en-1-yl-N-(2-hydroxy-2-propylpentyl)acetamide

C15H27NO2 — CID 111444858

IUPAC2-cyclopent-2-en-1-yl-N-(2-hydroxy-2-propylpentyl)acetamide
SMILESCCCC(O)(CCC)CNC(=O)CC1C=CCC1
InChIInChI=1S/C15H27NO2/c1-3-9-15(18,10-4-2)12-16-14(17)11-13-7-5-6-8-13/h5,7,13,18H,3-4,6,8-12H2,1-2H3,(H,16,17)
InChIKeyBOGRKNUBKTVSRK-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.79
Rot. Bonds8

About 2-cyclopent-2-en-1-yl-N-(2-hydroxy-2-propylpentyl)acetamide

2-cyclopent-2-en-1-yl-N-(2-hydroxy-2-propylpentyl)acetamide (PubChem CID 111444858) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-(2-hydroxy-2-propylpentyl)acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-(2-hydroxy-2-propylpentyl)acetamide
PubChem CID111444858
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-cyclopent-2-en-1-yl-N-(2-hydroxy-2-propylpentyl)acetamide
SMILESCCCC(O)(CCC)CNC(=O)CC1C=CCC1
InChIInChI=1S/C15H27NO2/c1-3-9-15(18,10-4-2)12-16-14(17)11-13-7-5-6-8-13/h5,7,13,18H,3-4,6,8-12H2,1-2H3,(H,16,17)
InChIKeyBOGRKNUBKTVSRK-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopent-2-en-1-yl-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113826
2-cyclopent-2-en-1-yl-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111479112
2-cyclopent-2-en-1-yl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 103604609
1-cyclohex-3-en-1-yl-3-(2-hydroxy-2-propylpentyl)urea
CID 111438902
N-(3-aminopropyl)-2-cyclopent-2-en-1-ylacetamide
CID 62268451
N-(2-hydroxy-2-propylpentyl)cyclopropanecarboxamide
CID 111444767
2-cyclopent-2-en-1-yl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide
CID 65121375
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
N-(2-amino-3-hydroxybutyl)-2-cyclopent-2-en-1-ylacetamide
CID 64539561
N-(2-hydroxy-2-propylpentyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 111750779
(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-hydroxy-2-propylpentyl)acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-(2-hydroxy-2-propylpentyl)acetamide (CID 111444858) is 2-cyclopent-2-en-1-yl-N-(2-hydroxy-2-propylpentyl)acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-(2-hydroxy-2-propylpentyl)acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-(2-hydroxy-2-propylpentyl)acetamide is CCCC(O)(CCC)CNC(=O)CC1C=CCC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-(2-hydroxy-2-propylpentyl)acetamide?
The InChIKey is BOGRKNUBKTVSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-9-15(18,10-4-2)12-16-14(17)11-13-7-5-6-8-13/h5,7,13,18H,3-4,6,8-12H2,1-2H3,(H,16,17).
What are the key properties of 2-cyclopent-2-en-1-yl-N-(2-hydroxy-2-propylpentyl)acetamide?
2-cyclopent-2-en-1-yl-N-(2-hydroxy-2-propylpentyl)acetamide has a molecular weight of 253.39 g/mol, XLogP of 2.79, 8 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-hydroxy-2-propylpentyl)acetamide is sourced from PubChem (CID 111444858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).