4-(4-pentylcyclohexyl)cyclohexane-1-carboxamide

C18H33NO — CID 534426

IUPAC4-(4-pentylcyclohexyl)cyclohexane-1-carboxamide
SMILESCCCCCC1CCC(C2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C18H33NO/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h14-17H,2-13H2,1H3,(H2,19,20)
InChIKeyIAHNIZPOFTYASK-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.66
Rot. Bonds6

About 4-(4-pentylcyclohexyl)cyclohexane-1-carboxamide

4-(4-pentylcyclohexyl)cyclohexane-1-carboxamide (PubChem CID 534426) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 4-(4-pentylcyclohexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(4-pentylcyclohexyl)cyclohexane-1-carboxamide
PubChem CID534426
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name4-(4-pentylcyclohexyl)cyclohexane-1-carboxamide
SMILESCCCCCC1CCC(C2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C18H33NO/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h14-17H,2-13H2,1H3,(H2,19,20)
InChIKeyIAHNIZPOFTYASK-UHFFFAOYSA-N
XLogP4.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.66
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 4-(4-pentylcyclohexyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(4-pentylcyclohexyl)cyclohexane-1-carboxamide (CID 534426) is 4-(4-pentylcyclohexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(4-pentylcyclohexyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(4-pentylcyclohexyl)cyclohexane-1-carboxamide is CCCCCC1CCC(C2CCC(C(N)=O)CC2)CC1.
What is the InChIKey of 4-(4-pentylcyclohexyl)cyclohexane-1-carboxamide?
The InChIKey is IAHNIZPOFTYASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h14-17H,2-13H2,1H3,(H2,19,20).
What are the key properties of 4-(4-pentylcyclohexyl)cyclohexane-1-carboxamide?
4-(4-pentylcyclohexyl)cyclohexane-1-carboxamide has a molecular weight of 279.47 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pentylcyclohexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 534426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).