3-cyclopentyl-N-pentylpropanamide

C13H25NO — CID 4300171

IUPAC3-cyclopentyl-N-pentylpropanamide
SMILESCCCCCNC(=O)CCC1CCCC1
InChIInChI=1S/C13H25NO/c1-2-3-6-11-14-13(15)10-9-12-7-4-5-8-12/h12H,2-11H2,1H3,(H,14,15)
InChIKeyHEGMXJOOZAADQO-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.26
Rot. Bonds7

About 3-cyclopentyl-N-pentylpropanamide

3-cyclopentyl-N-pentylpropanamide (PubChem CID 4300171) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-cyclopentyl-N-pentylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-pentylpropanamide
PubChem CID4300171
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-cyclopentyl-N-pentylpropanamide
SMILESCCCCCNC(=O)CCC1CCCC1
InChIInChI=1S/C13H25NO/c1-2-3-6-11-14-13(15)10-9-12-7-4-5-8-12/h12H,2-11H2,1H3,(H,14,15)
InChIKeyHEGMXJOOZAADQO-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.26
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-pentylpropanamide?
The IUPAC name of 3-cyclopentyl-N-pentylpropanamide (CID 4300171) is 3-cyclopentyl-N-pentylpropanamide.
What is the SMILES notation for 3-cyclopentyl-N-pentylpropanamide?
The canonical SMILES for 3-cyclopentyl-N-pentylpropanamide is CCCCCNC(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-pentylpropanamide?
The InChIKey is HEGMXJOOZAADQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-3-6-11-14-13(15)10-9-12-7-4-5-8-12/h12H,2-11H2,1H3,(H,14,15).
What are the key properties of 3-cyclopentyl-N-pentylpropanamide?
3-cyclopentyl-N-pentylpropanamide has a molecular weight of 211.35 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-pentylpropanamide is sourced from PubChem (CID 4300171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).