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

C22H37NO — CID 5283391

IUPAC(5Z,8Z,11Z,14Z)-N-ethylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC
InChIInChI=1S/C22H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-21H2,1-2H3,(H,23,24)/b9-8-,12-11-,15-14-,18-17-
InChIKeyDCUXLBLUWUQKFU-GKFVBPDJSA-N
MW331.54 g/mol
LogP6.27
Rot. Bonds15

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

(5Z,8Z,11Z,14Z)-N-ethylicosa-5,8,11,14-tetraenamide (PubChem CID 5283391) has the molecular formula C22H37NO and a molecular weight of 331.54 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-ethylicosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-ethylicosa-5,8,11,14-tetraenamide
PubChem CID5283391
Molecular FormulaC22H37NO
Molecular Weight331.54 g/mol
Exact Mass331.29
IUPAC Name(5Z,8Z,11Z,14Z)-N-ethylicosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC
InChIInChI=1S/C22H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-21H2,1-2H3,(H,23,24)/b9-8-,12-11-,15-14-,18-17-
InChIKeyDCUXLBLUWUQKFU-GKFVBPDJSA-N
XLogP6.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.54
LogP ≤ 56.27
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-ethylicosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-ethylicosa-5,8,11,14-tetraenamide (CID 5283391) is (5Z,8Z,11Z,14Z)-N-ethylicosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-ethylicosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-ethylicosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-ethylicosa-5,8,11,14-tetraenamide?
The InChIKey is DCUXLBLUWUQKFU-GKFVBPDJSA-N. The full InChI is InChI=1S/C22H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-21H2,1-2H3,(H,23,24)/b9-8-,12-11-,15-14-,18-17-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-ethylicosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-ethylicosa-5,8,11,14-tetraenamide has a molecular weight of 331.54 g/mol, XLogP of 6.27, 15 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-ethylicosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 5283391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).