N-(4-aminopenta-2,4-dienoyl)octanamide

C13H22N2O2 — CID 158349493

IUPACN-(4-aminopenta-2,4-dienoyl)octanamide
SMILESC=C(N)C=CC(=O)NC(=O)CCCCCCC
InChIInChI=1S/C13H22N2O2/c1-3-4-5-6-7-8-12(16)15-13(17)10-9-11(2)14/h9-10H,2-8,14H2,1H3,(H,15,16,17)
InChIKeyGSDHXCROUFCDEQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.02
Rot. Bonds8

About N-(4-aminopenta-2,4-dienoyl)octanamide

N-(4-aminopenta-2,4-dienoyl)octanamide (PubChem CID 158349493) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(4-aminopenta-2,4-dienoyl)octanamide.

Molecular Properties

Compound NameN-(4-aminopenta-2,4-dienoyl)octanamide
PubChem CID158349493
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(4-aminopenta-2,4-dienoyl)octanamide
SMILESC=C(N)C=CC(=O)NC(=O)CCCCCCC
InChIInChI=1S/C13H22N2O2/c1-3-4-5-6-7-8-12(16)15-13(17)10-9-11(2)14/h9-10H,2-8,14H2,1H3,(H,15,16,17)
InChIKeyGSDHXCROUFCDEQ-UHFFFAOYSA-N
XLogP2.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminopenta-2,4-dienoyl)octanamide?
The IUPAC name of N-(4-aminopenta-2,4-dienoyl)octanamide (CID 158349493) is N-(4-aminopenta-2,4-dienoyl)octanamide.
What is the SMILES notation for N-(4-aminopenta-2,4-dienoyl)octanamide?
The canonical SMILES for N-(4-aminopenta-2,4-dienoyl)octanamide is C=C(N)C=CC(=O)NC(=O)CCCCCCC.
What is the InChIKey of N-(4-aminopenta-2,4-dienoyl)octanamide?
The InChIKey is GSDHXCROUFCDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-4-5-6-7-8-12(16)15-13(17)10-9-11(2)14/h9-10H,2-8,14H2,1H3,(H,15,16,17).
What are the key properties of N-(4-aminopenta-2,4-dienoyl)octanamide?
N-(4-aminopenta-2,4-dienoyl)octanamide has a molecular weight of 238.33 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopenta-2,4-dienoyl)octanamide is sourced from PubChem (CID 158349493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).