N-dec-5-enyl-1-decylcyclohexane-1-carboxamide

C27H51NO — CID 57281336

IUPACN-dec-5-enyl-1-decylcyclohexane-1-carboxamide
SMILESCCCCC=CCCCCNC(=O)C1(CCCCCCCCCC)CCCCC1
InChIInChI=1S/C27H51NO/c1-3-5-7-9-11-13-15-18-22-27(23-19-17-20-24-27)26(29)28-25-21-16-14-12-10-8-6-4-2/h10,12H,3-9,11,13-25H2,1-2H3,(H,28,29)
InChIKeyCZGUQYVVGOSKBB-UHFFFAOYSA-N
MW405.71 g/mol
LogP8.50
Rot. Bonds18

About N-dec-5-enyl-1-decylcyclohexane-1-carboxamide

N-dec-5-enyl-1-decylcyclohexane-1-carboxamide (PubChem CID 57281336) has the molecular formula C27H51NO and a molecular weight of 405.71 g/mol. Its IUPAC name is N-dec-5-enyl-1-decylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-dec-5-enyl-1-decylcyclohexane-1-carboxamide
PubChem CID57281336
Molecular FormulaC27H51NO
Molecular Weight405.71 g/mol
Exact Mass405.40
IUPAC NameN-dec-5-enyl-1-decylcyclohexane-1-carboxamide
SMILESCCCCC=CCCCCNC(=O)C1(CCCCCCCCCC)CCCCC1
InChIInChI=1S/C27H51NO/c1-3-5-7-9-11-13-15-18-22-27(23-19-17-20-24-27)26(29)28-25-21-16-14-12-10-8-6-4-2/h10,12H,3-9,11,13-25H2,1-2H3,(H,28,29)
InChIKeyCZGUQYVVGOSKBB-UHFFFAOYSA-N
XLogP8.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.71
LogP ≤ 58.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-dec-5-enyl-1-decylcyclohexane-1-carboxamide?
The IUPAC name of N-dec-5-enyl-1-decylcyclohexane-1-carboxamide (CID 57281336) is N-dec-5-enyl-1-decylcyclohexane-1-carboxamide.
What is the SMILES notation for N-dec-5-enyl-1-decylcyclohexane-1-carboxamide?
The canonical SMILES for N-dec-5-enyl-1-decylcyclohexane-1-carboxamide is CCCCC=CCCCCNC(=O)C1(CCCCCCCCCC)CCCCC1.
What is the InChIKey of N-dec-5-enyl-1-decylcyclohexane-1-carboxamide?
The InChIKey is CZGUQYVVGOSKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H51NO/c1-3-5-7-9-11-13-15-18-22-27(23-19-17-20-24-27)26(29)28-25-21-16-14-12-10-8-6-4-2/h10,12H,3-9,11,13-25H2,1-2H3,(H,28,29).
What are the key properties of N-dec-5-enyl-1-decylcyclohexane-1-carboxamide?
N-dec-5-enyl-1-decylcyclohexane-1-carboxamide has a molecular weight of 405.71 g/mol, XLogP of 8.50, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dec-5-enyl-1-decylcyclohexane-1-carboxamide is sourced from PubChem (CID 57281336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).