N-(4-methylpentyl)octadeca-2,4,12-trienamide

C24H43NO — CID 72757295

IUPACN-(4-methylpentyl)octadeca-2,4,12-trienamide
SMILESCCCCCC=CCCCCCCC=CC=CC(=O)NCCCC(C)C
InChIInChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(26)25-22-19-20-23(2)3/h8-9,16-18,21,23H,4-7,10-15,19-20,22H2,1-3H3,(H,25,26)
InChIKeyOQYWYNYZGPSILS-UHFFFAOYSA-N
MW361.61 g/mol
LogP7.13
Rot. Bonds17

About N-(4-methylpentyl)octadeca-2,4,12-trienamide

N-(4-methylpentyl)octadeca-2,4,12-trienamide (PubChem CID 72757295) has the molecular formula C24H43NO and a molecular weight of 361.61 g/mol. Its IUPAC name is N-(4-methylpentyl)octadeca-2,4,12-trienamide.

Molecular Properties

Compound NameN-(4-methylpentyl)octadeca-2,4,12-trienamide
PubChem CID72757295
Molecular FormulaC24H43NO
Molecular Weight361.61 g/mol
Exact Mass361.33
IUPAC NameN-(4-methylpentyl)octadeca-2,4,12-trienamide
SMILESCCCCCC=CCCCCCCC=CC=CC(=O)NCCCC(C)C
InChIInChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(26)25-22-19-20-23(2)3/h8-9,16-18,21,23H,4-7,10-15,19-20,22H2,1-3H3,(H,25,26)
InChIKeyOQYWYNYZGPSILS-UHFFFAOYSA-N
XLogP7.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.61
LogP ≤ 57.13
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'}, {'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-methylpentyl)octadeca-2,4,12-trienamide?
The IUPAC name of N-(4-methylpentyl)octadeca-2,4,12-trienamide (CID 72757295) is N-(4-methylpentyl)octadeca-2,4,12-trienamide.
What is the SMILES notation for N-(4-methylpentyl)octadeca-2,4,12-trienamide?
The canonical SMILES for N-(4-methylpentyl)octadeca-2,4,12-trienamide is CCCCCC=CCCCCCCC=CC=CC(=O)NCCCC(C)C.
What is the InChIKey of N-(4-methylpentyl)octadeca-2,4,12-trienamide?
The InChIKey is OQYWYNYZGPSILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24(26)25-22-19-20-23(2)3/h8-9,16-18,21,23H,4-7,10-15,19-20,22H2,1-3H3,(H,25,26).
What are the key properties of N-(4-methylpentyl)octadeca-2,4,12-trienamide?
N-(4-methylpentyl)octadeca-2,4,12-trienamide has a molecular weight of 361.61 g/mol, XLogP of 7.13, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)octadeca-2,4,12-trienamide is sourced from PubChem (CID 72757295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).