(5Z,8Z,11Z,14Z)-N-prop-2-enylicosa-5,8,11,14-tetraenamide

C23H37NO — CID 10569413

IUPAC(5Z,8Z,11Z,14Z)-N-prop-2-enylicosa-5,8,11,14-tetraenamide
SMILESC=CCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C23H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)24-22-4-2/h4,8-9,11-12,14-15,17-18H,2-3,5-7,10,13,16,19-22H2,1H3,(H,24,25)/b9-8-,12-11-,15-14-,18-17-
InChIKeyAWKMZCWRZDFTOY-GKFVBPDJSA-N
MW343.56 g/mol
LogP6.43
Rot. Bonds16

About (5Z,8Z,11Z,14Z)-N-prop-2-enylicosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-prop-2-enylicosa-5,8,11,14-tetraenamide (PubChem CID 10569413) has the molecular formula C23H37NO and a molecular weight of 343.56 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-prop-2-enylicosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-prop-2-enylicosa-5,8,11,14-tetraenamide
PubChem CID10569413
Molecular FormulaC23H37NO
Molecular Weight343.56 g/mol
Exact Mass343.29
IUPAC Name(5Z,8Z,11Z,14Z)-N-prop-2-enylicosa-5,8,11,14-tetraenamide
SMILESC=CCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C23H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)24-22-4-2/h4,8-9,11-12,14-15,17-18H,2-3,5-7,10,13,16,19-22H2,1H3,(H,24,25)/b9-8-,12-11-,15-14-,18-17-
InChIKeyAWKMZCWRZDFTOY-GKFVBPDJSA-N
XLogP6.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.56
LogP ≤ 56.43
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-prop-2-enylicosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-prop-2-enylicosa-5,8,11,14-tetraenamide (CID 10569413) is (5Z,8Z,11Z,14Z)-N-prop-2-enylicosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-prop-2-enylicosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-prop-2-enylicosa-5,8,11,14-tetraenamide is C=CCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-prop-2-enylicosa-5,8,11,14-tetraenamide?
The InChIKey is AWKMZCWRZDFTOY-GKFVBPDJSA-N. The full InChI is InChI=1S/C23H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)24-22-4-2/h4,8-9,11-12,14-15,17-18H,2-3,5-7,10,13,16,19-22H2,1H3,(H,24,25)/b9-8-,12-11-,15-14-,18-17-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-prop-2-enylicosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-prop-2-enylicosa-5,8,11,14-tetraenamide has a molecular weight of 343.56 g/mol, XLogP of 6.43, 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-prop-2-enylicosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 10569413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).