3-cyclopentyl-N-hexylpropanamide

C14H27NO — CID 4219309

IUPAC3-cyclopentyl-N-hexylpropanamide
SMILESCCCCCCNC(=O)CCC1CCCC1
InChIInChI=1S/C14H27NO/c1-2-3-4-7-12-15-14(16)11-10-13-8-5-6-9-13/h13H,2-12H2,1H3,(H,15,16)
InChIKeyIWWREQWCCHZILU-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.65
Rot. Bonds8

About 3-cyclopentyl-N-hexylpropanamide

3-cyclopentyl-N-hexylpropanamide (PubChem CID 4219309) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-cyclopentyl-N-hexylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-hexylpropanamide
PubChem CID4219309
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-cyclopentyl-N-hexylpropanamide
SMILESCCCCCCNC(=O)CCC1CCCC1
InChIInChI=1S/C14H27NO/c1-2-3-4-7-12-15-14(16)11-10-13-8-5-6-9-13/h13H,2-12H2,1H3,(H,15,16)
InChIKeyIWWREQWCCHZILU-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-hexylpropanamide?
The IUPAC name of 3-cyclopentyl-N-hexylpropanamide (CID 4219309) is 3-cyclopentyl-N-hexylpropanamide.
What is the SMILES notation for 3-cyclopentyl-N-hexylpropanamide?
The canonical SMILES for 3-cyclopentyl-N-hexylpropanamide is CCCCCCNC(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-hexylpropanamide?
The InChIKey is IWWREQWCCHZILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-3-4-7-12-15-14(16)11-10-13-8-5-6-9-13/h13H,2-12H2,1H3,(H,15,16).
What are the key properties of 3-cyclopentyl-N-hexylpropanamide?
3-cyclopentyl-N-hexylpropanamide has a molecular weight of 225.38 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-hexylpropanamide is sourced from PubChem (CID 4219309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).