(5Z,8Z,11Z,14Z)-N-methylicosa-5,8,11,14-tetraenamide

C21H35NO — CID 5283392

IUPAC(5Z,8Z,11Z,14Z)-N-methylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC
InChIInChI=1S/C21H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3,(H,22,23)/b8-7-,11-10-,14-13-,17-16-
InChIKeyHTAWYBRCXMQDBL-ZKWNWVNESA-N
MW317.52 g/mol
LogP5.88
Rot. Bonds14

About (5Z,8Z,11Z,14Z)-N-methylicosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-methylicosa-5,8,11,14-tetraenamide (PubChem CID 5283392) has the molecular formula C21H35NO and a molecular weight of 317.52 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-methylicosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-methylicosa-5,8,11,14-tetraenamide
PubChem CID5283392
Molecular FormulaC21H35NO
Molecular Weight317.52 g/mol
Exact Mass317.27
IUPAC Name(5Z,8Z,11Z,14Z)-N-methylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC
InChIInChI=1S/C21H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3,(H,22,23)/b8-7-,11-10-,14-13-,17-16-
InChIKeyHTAWYBRCXMQDBL-ZKWNWVNESA-N
XLogP5.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.52
LogP ≤ 55.88
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 (5Z,8Z,11Z,14Z)-N-methylicosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-methylicosa-5,8,11,14-tetraenamide (CID 5283392) is (5Z,8Z,11Z,14Z)-N-methylicosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-methylicosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-methylicosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-methylicosa-5,8,11,14-tetraenamide?
The InChIKey is HTAWYBRCXMQDBL-ZKWNWVNESA-N. The full InChI is InChI=1S/C21H35NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22-2/h7-8,10-11,13-14,16-17H,3-6,9,12,15,18-20H2,1-2H3,(H,22,23)/b8-7-,11-10-,14-13-,17-16-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-methylicosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-methylicosa-5,8,11,14-tetraenamide has a molecular weight of 317.52 g/mol, XLogP of 5.88, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-methylicosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 5283392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).