(5Z,8Z,11Z,14Z,17Z)-N-[2-(1H-imidazol-5-yl)ethyl]icosa-5,8,11,14,17-pentaenamide

C25H37N3O — CID 171117235

IUPAC(5Z,8Z,11Z,14Z,17Z)-N-[2-(1H-imidazol-5-yl)ethyl]icosa-5,8,11,14,17-pentaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C25H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29)27-21-20-24-22-26-23-28-24/h3-4,6-7,9-10,12-13,15-16,22-23H,2,5,8,11,14,17-21H2,1H3,(H,26,28)(H,27,29)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyPOZOULOUCRVMCW-JLNKQSITSA-N
MW395.59 g/mol
LogP5.99
Rot. Bonds16

About (5Z,8Z,11Z,14Z,17Z)-N-[2-(1H-imidazol-5-yl)ethyl]icosa-5,8,11,14,17-pentaenamide

(5Z,8Z,11Z,14Z,17Z)-N-[2-(1H-imidazol-5-yl)ethyl]icosa-5,8,11,14,17-pentaenamide (PubChem CID 171117235) has the molecular formula C25H37N3O and a molecular weight of 395.59 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z,17Z)-N-[2-(1H-imidazol-5-yl)ethyl]icosa-5,8,11,14,17-pentaenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z,17Z)-N-[2-(1H-imidazol-5-yl)ethyl]icosa-5,8,11,14,17-pentaenamide
PubChem CID171117235
Molecular FormulaC25H37N3O
Molecular Weight395.59 g/mol
Exact Mass395.29
IUPAC Name(5Z,8Z,11Z,14Z,17Z)-N-[2-(1H-imidazol-5-yl)ethyl]icosa-5,8,11,14,17-pentaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C25H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29)27-21-20-24-22-26-23-28-24/h3-4,6-7,9-10,12-13,15-16,22-23H,2,5,8,11,14,17-21H2,1H3,(H,26,28)(H,27,29)/b4-3-,7-6-,10-9-,13-12-,16-15-
InChIKeyPOZOULOUCRVMCW-JLNKQSITSA-N
XLogP5.99
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(9E,12E)-N-[2-(1H-imidazol-5-yl)ethyl]octadeca-9,12-dienamide
CID 171117223
(Z)-N-[2-(1H-imidazol-5-yl)ethyl]icos-11-enamide
CID 171117231
(Z)-N-[2-(1H-imidazol-5-yl)ethyl]tetradec-9-enamide
CID 171117216
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218
(5Z,8Z,11Z,14Z,17Z)-N-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide
CID 53374375
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]pentanamide
CID 107910201
6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide
CID 19065170
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574
(2S)-3-(1H-imidazol-5-yl)-2-(octadeca-9,12,15-trienoylamino)propanoic acid
CID 171776522
N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide
CID 140637385
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylpentanamide
CID 65232151

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z,17Z)-N-[2-(1H-imidazol-5-yl)ethyl]icosa-5,8,11,14,17-pentaenamide?
The IUPAC name of (5Z,8Z,11Z,14Z,17Z)-N-[2-(1H-imidazol-5-yl)ethyl]icosa-5,8,11,14,17-pentaenamide (CID 171117235) is (5Z,8Z,11Z,14Z,17Z)-N-[2-(1H-imidazol-5-yl)ethyl]icosa-5,8,11,14,17-pentaenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z,17Z)-N-[2-(1H-imidazol-5-yl)ethyl]icosa-5,8,11,14,17-pentaenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z,17Z)-N-[2-(1H-imidazol-5-yl)ethyl]icosa-5,8,11,14,17-pentaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1cnc[nH]1.
What is the InChIKey of (5Z,8Z,11Z,14Z,17Z)-N-[2-(1H-imidazol-5-yl)ethyl]icosa-5,8,11,14,17-pentaenamide?
The InChIKey is POZOULOUCRVMCW-JLNKQSITSA-N. The full InChI is InChI=1S/C25H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29)27-21-20-24-22-26-23-28-24/h3-4,6-7,9-10,12-13,15-16,22-23H,2,5,8,11,14,17-21H2,1H3,(H,26,28)(H,27,29)/b4-3-,7-6-,10-9-,13-12-,16-15-.
What are the key properties of (5Z,8Z,11Z,14Z,17Z)-N-[2-(1H-imidazol-5-yl)ethyl]icosa-5,8,11,14,17-pentaenamide?
(5Z,8Z,11Z,14Z,17Z)-N-[2-(1H-imidazol-5-yl)ethyl]icosa-5,8,11,14,17-pentaenamide has a molecular weight of 395.59 g/mol, XLogP of 5.99, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z,17Z)-N-[2-(1H-imidazol-5-yl)ethyl]icosa-5,8,11,14,17-pentaenamide is sourced from PubChem (CID 171117235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).