3-cyclopentyl-N-(7-ethyldecyl)cyclopentane-1-carboxamide

C23H43NO — CID 123429676

IUPAC3-cyclopentyl-N-(7-ethyldecyl)cyclopentane-1-carboxamide
SMILESCCCC(CC)CCCCCCNC(=O)C1CCC(C2CCCC2)C1
InChIInChI=1S/C23H43NO/c1-3-11-19(4-2)12-7-5-6-10-17-24-23(25)22-16-15-21(18-22)20-13-8-9-14-20/h19-22H,3-18H2,1-2H3,(H,24,25)
InChIKeyHLWGPYQKEHJLHJ-UHFFFAOYSA-N
MW349.60 g/mol
LogP6.49
Rot. Bonds12

About 3-cyclopentyl-N-(7-ethyldecyl)cyclopentane-1-carboxamide

3-cyclopentyl-N-(7-ethyldecyl)cyclopentane-1-carboxamide (PubChem CID 123429676) has the molecular formula C23H43NO and a molecular weight of 349.60 g/mol. Its IUPAC name is 3-cyclopentyl-N-(7-ethyldecyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(7-ethyldecyl)cyclopentane-1-carboxamide
PubChem CID123429676
Molecular FormulaC23H43NO
Molecular Weight349.60 g/mol
Exact Mass349.33
IUPAC Name3-cyclopentyl-N-(7-ethyldecyl)cyclopentane-1-carboxamide
SMILESCCCC(CC)CCCCCCNC(=O)C1CCC(C2CCCC2)C1
InChIInChI=1S/C23H43NO/c1-3-11-19(4-2)12-7-5-6-10-17-24-23(25)22-16-15-21(18-22)20-13-8-9-14-20/h19-22H,3-18H2,1-2H3,(H,24,25)
InChIKeyHLWGPYQKEHJLHJ-UHFFFAOYSA-N
XLogP6.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.60
LogP ≤ 56.49
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-(7-ethyldecyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-cyclopentyl-N-(7-ethyldecyl)cyclopentane-1-carboxamide (CID 123429676) is 3-cyclopentyl-N-(7-ethyldecyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-cyclopentyl-N-(7-ethyldecyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-cyclopentyl-N-(7-ethyldecyl)cyclopentane-1-carboxamide is CCCC(CC)CCCCCCNC(=O)C1CCC(C2CCCC2)C1.
What is the InChIKey of 3-cyclopentyl-N-(7-ethyldecyl)cyclopentane-1-carboxamide?
The InChIKey is HLWGPYQKEHJLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43NO/c1-3-11-19(4-2)12-7-5-6-10-17-24-23(25)22-16-15-21(18-22)20-13-8-9-14-20/h19-22H,3-18H2,1-2H3,(H,24,25).
What are the key properties of 3-cyclopentyl-N-(7-ethyldecyl)cyclopentane-1-carboxamide?
3-cyclopentyl-N-(7-ethyldecyl)cyclopentane-1-carboxamide has a molecular weight of 349.60 g/mol, XLogP of 6.49, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(7-ethyldecyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 123429676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).