(5Z,8Z,11Z,14Z)-N-butan-2-ylicosa-5,8,11,14-tetraenamide

C24H41NO — CID 10832336

IUPAC(5Z,8Z,11Z,14Z)-N-butan-2-ylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(C)CC
InChIInChI=1S/C24H41NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)25-23(3)5-2/h9-10,12-13,15-16,18-19,23H,4-8,11,14,17,20-22H2,1-3H3,(H,25,26)/b10-9-,13-12-,16-15-,19-18-
InChIKeyFSBHLSINBYYIIF-SNPVRQPZSA-N
MW359.60 g/mol
LogP7.05
Rot. Bonds16

About (5Z,8Z,11Z,14Z)-N-butan-2-ylicosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-butan-2-ylicosa-5,8,11,14-tetraenamide (PubChem CID 10832336) has the molecular formula C24H41NO and a molecular weight of 359.60 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-butan-2-ylicosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-butan-2-ylicosa-5,8,11,14-tetraenamide
PubChem CID10832336
Molecular FormulaC24H41NO
Molecular Weight359.60 g/mol
Exact Mass359.32
IUPAC Name(5Z,8Z,11Z,14Z)-N-butan-2-ylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(C)CC
InChIInChI=1S/C24H41NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)25-23(3)5-2/h9-10,12-13,15-16,18-19,23H,4-8,11,14,17,20-22H2,1-3H3,(H,25,26)/b10-9-,13-12-,16-15-,19-18-
InChIKeyFSBHLSINBYYIIF-SNPVRQPZSA-N
XLogP7.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.60
LogP ≤ 57.05
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-butan-2-ylicosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-butan-2-ylicosa-5,8,11,14-tetraenamide (CID 10832336) is (5Z,8Z,11Z,14Z)-N-butan-2-ylicosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-butan-2-ylicosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-butan-2-ylicosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(C)CC.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-butan-2-ylicosa-5,8,11,14-tetraenamide?
The InChIKey is FSBHLSINBYYIIF-SNPVRQPZSA-N. The full InChI is InChI=1S/C24H41NO/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)25-23(3)5-2/h9-10,12-13,15-16,18-19,23H,4-8,11,14,17,20-22H2,1-3H3,(H,25,26)/b10-9-,13-12-,16-15-,19-18-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-butan-2-ylicosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-butan-2-ylicosa-5,8,11,14-tetraenamide has a molecular weight of 359.60 g/mol, XLogP of 7.05, 16 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-butan-2-ylicosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 10832336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).