N-(4-pentylidenecyclohexyl)acetamide

C13H23NO — CID 118946881

IUPACN-(4-pentylidenecyclohexyl)acetamide
SMILESCCCCC=C1CCC(NC(C)=O)CC1
InChIInChI=1S/C13H23NO/c1-3-4-5-6-12-7-9-13(10-8-12)14-11(2)15/h6,13H,3-5,7-10H2,1-2H3,(H,14,15)/b12-6-
InChIKeyZATGRCONCOBSOR-SDQBBNPISA-N
MW209.33 g/mol
LogP3.18
Rot. Bonds4

About N-(4-pentylidenecyclohexyl)acetamide

N-(4-pentylidenecyclohexyl)acetamide (PubChem CID 118946881) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-(4-pentylidenecyclohexyl)acetamide.

Molecular Properties

Compound NameN-(4-pentylidenecyclohexyl)acetamide
PubChem CID118946881
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-(4-pentylidenecyclohexyl)acetamide
SMILESCCCCC=C1CCC(NC(C)=O)CC1
InChIInChI=1S/C13H23NO/c1-3-4-5-6-12-7-9-13(10-8-12)14-11(2)15/h6,13H,3-5,7-10H2,1-2H3,(H,14,15)/b12-6-
InChIKeyZATGRCONCOBSOR-SDQBBNPISA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.18
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-(4-pentylidenecyclohexyl)acetamide?
The IUPAC name of N-(4-pentylidenecyclohexyl)acetamide (CID 118946881) is N-(4-pentylidenecyclohexyl)acetamide.
What is the SMILES notation for N-(4-pentylidenecyclohexyl)acetamide?
The canonical SMILES for N-(4-pentylidenecyclohexyl)acetamide is CCCCC=C1CCC(NC(C)=O)CC1.
What is the InChIKey of N-(4-pentylidenecyclohexyl)acetamide?
The InChIKey is ZATGRCONCOBSOR-SDQBBNPISA-N. The full InChI is InChI=1S/C13H23NO/c1-3-4-5-6-12-7-9-13(10-8-12)14-11(2)15/h6,13H,3-5,7-10H2,1-2H3,(H,14,15)/b12-6-.
What are the key properties of N-(4-pentylidenecyclohexyl)acetamide?
N-(4-pentylidenecyclohexyl)acetamide has a molecular weight of 209.33 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pentylidenecyclohexyl)acetamide is sourced from PubChem (CID 118946881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).