3-cyclopentyl-N,N-dihexylpropanamide

C20H39NO — CID 532985

IUPAC3-cyclopentyl-N,N-dihexylpropanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCC1CCCC1
InChIInChI=1S/C20H39NO/c1-3-5-7-11-17-21(18-12-8-6-4-2)20(22)16-15-19-13-9-10-14-19/h19H,3-18H2,1-2H3
InChIKeyBLBVBLUSZAQSEN-UHFFFAOYSA-N
MW309.54 g/mol
LogP5.95
Rot. Bonds13

About 3-cyclopentyl-N,N-dihexylpropanamide

3-cyclopentyl-N,N-dihexylpropanamide (PubChem CID 532985) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 3-cyclopentyl-N,N-dihexylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-N,N-dihexylpropanamide
PubChem CID532985
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name3-cyclopentyl-N,N-dihexylpropanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCC1CCCC1
InChIInChI=1S/C20H39NO/c1-3-5-7-11-17-21(18-12-8-6-4-2)20(22)16-15-19-13-9-10-14-19/h19H,3-18H2,1-2H3
InChIKeyBLBVBLUSZAQSEN-UHFFFAOYSA-N
XLogP5.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 55.95
H-Bond Donors ≤ 50
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,N-dihexylpropanamide?
The IUPAC name of 3-cyclopentyl-N,N-dihexylpropanamide (CID 532985) is 3-cyclopentyl-N,N-dihexylpropanamide.
What is the SMILES notation for 3-cyclopentyl-N,N-dihexylpropanamide?
The canonical SMILES for 3-cyclopentyl-N,N-dihexylpropanamide is CCCCCCN(CCCCCC)C(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N,N-dihexylpropanamide?
The InChIKey is BLBVBLUSZAQSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-3-5-7-11-17-21(18-12-8-6-4-2)20(22)16-15-19-13-9-10-14-19/h19H,3-18H2,1-2H3.
What are the key properties of 3-cyclopentyl-N,N-dihexylpropanamide?
3-cyclopentyl-N,N-dihexylpropanamide has a molecular weight of 309.54 g/mol, XLogP of 5.95, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N,N-dihexylpropanamide is sourced from PubChem (CID 532985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).