4-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]butanoate

C24H38NO3- — CID 40785069

IUPAC4-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]butanoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCC(=O)[O-]
InChIInChI=1S/C24H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)25-22-19-21-24(27)28/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3,(H,25,26)(H,27,28)/p-1/b7-6-,10-9-,13-12-,16-15-
InChIKeyJKUDIEXTAYKJNX-DOFZRALJSA-M
MW388.57 g/mol
LogP4.78
Rot. Bonds18

About 4-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]butanoate

4-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]butanoate (PubChem CID 40785069) has the molecular formula C24H38NO3- and a molecular weight of 388.57 g/mol. Its IUPAC name is 4-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]butanoate.

Molecular Properties

Compound Name4-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]butanoate
PubChem CID40785069
Molecular FormulaC24H38NO3-
Molecular Weight388.57 g/mol
Exact Mass388.29
IUPAC Name4-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]butanoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCC(=O)[O-]
InChIInChI=1S/C24H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)25-22-19-21-24(27)28/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3,(H,25,26)(H,27,28)/p-1/b7-6-,10-9-,13-12-,16-15-
InChIKeyJKUDIEXTAYKJNX-DOFZRALJSA-M
XLogP4.78
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.57
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]butanoate?
The IUPAC name of 4-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]butanoate (CID 40785069) is 4-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]butanoate.
What is the SMILES notation for 4-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]butanoate?
The canonical SMILES for 4-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]butanoate is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCC(=O)[O-].
What is the InChIKey of 4-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]butanoate?
The InChIKey is JKUDIEXTAYKJNX-DOFZRALJSA-M. The full InChI is InChI=1S/C24H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)25-22-19-21-24(27)28/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-22H2,1H3,(H,25,26)(H,27,28)/p-1/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of 4-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]butanoate?
4-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]butanoate has a molecular weight of 388.57 g/mol, XLogP of 4.78, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]butanoate is sourced from PubChem (CID 40785069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).