N-cyclohexa-1,5-dien-1-yloctanamide

C14H23NO — CID 23042469

IUPACN-cyclohexa-1,5-dien-1-yloctanamide
SMILESCCCCCCCC(=O)NC1=CCCC=C1
InChIInChI=1S/C14H23NO/c1-2-3-4-5-9-12-14(16)15-13-10-7-6-8-11-13/h7,10-11H,2-6,8-9,12H2,1H3,(H,15,16)
InChIKeyWLUWEKIBQHPMDS-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.70
Rot. Bonds7

About N-cyclohexa-1,5-dien-1-yloctanamide

N-cyclohexa-1,5-dien-1-yloctanamide (PubChem CID 23042469) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yloctanamide.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yloctanamide
PubChem CID23042469
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-cyclohexa-1,5-dien-1-yloctanamide
SMILESCCCCCCCC(=O)NC1=CCCC=C1
InChIInChI=1S/C14H23NO/c1-2-3-4-5-9-12-14(16)15-13-10-7-6-8-11-13/h7,10-11H,2-6,8-9,12H2,1H3,(H,15,16)
InChIKeyWLUWEKIBQHPMDS-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.70
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 N-cyclohexa-1,5-dien-1-yloctanamide?
The IUPAC name of N-cyclohexa-1,5-dien-1-yloctanamide (CID 23042469) is N-cyclohexa-1,5-dien-1-yloctanamide.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yloctanamide?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yloctanamide is CCCCCCCC(=O)NC1=CCCC=C1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yloctanamide?
The InChIKey is WLUWEKIBQHPMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-3-4-5-9-12-14(16)15-13-10-7-6-8-11-13/h7,10-11H,2-6,8-9,12H2,1H3,(H,15,16).
What are the key properties of N-cyclohexa-1,5-dien-1-yloctanamide?
N-cyclohexa-1,5-dien-1-yloctanamide has a molecular weight of 221.34 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yloctanamide is sourced from PubChem (CID 23042469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).