(9Z,12Z,15Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12,15-trienamide

C28H40N2O2 — CID 24749162

IUPAC(9Z,12Z,15Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12,15-trienamide
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C28H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(32)29-21-20-24-23-30-27-19-18-25(31)22-26(24)27/h3-4,6-7,9-10,18-19,22-23,30-31H,2,5,8,11-17,20-21H2,1H3,(H,29,32)/b4-3-,7-6-,10-9-
InChIKeyMAFMPVLBSWXLHL-PDBXOOCHSA-N
MW436.64 g/mol
LogP7.12
Rot. Bonds16

About (9Z,12Z,15Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12,15-trienamide

(9Z,12Z,15Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12,15-trienamide (PubChem CID 24749162) has the molecular formula C28H40N2O2 and a molecular weight of 436.64 g/mol. Its IUPAC name is (9Z,12Z,15Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12,15-trienamide.

Molecular Properties

Compound Name(9Z,12Z,15Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12,15-trienamide
PubChem CID24749162
Molecular FormulaC28H40N2O2
Molecular Weight436.64 g/mol
Exact Mass436.31
IUPAC Name(9Z,12Z,15Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12,15-trienamide
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C28H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(32)29-21-20-24-23-30-27-19-18-25(31)22-26(24)27/h3-4,6-7,9-10,18-19,22-23,30-31H,2,5,8,11-17,20-21H2,1H3,(H,29,32)/b4-3-,7-6-,10-9-
InChIKeyMAFMPVLBSWXLHL-PDBXOOCHSA-N
XLogP7.12
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 57.12
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of (9Z,12Z,15Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12,15-trienamide?
The IUPAC name of (9Z,12Z,15Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12,15-trienamide (CID 24749162) is (9Z,12Z,15Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12,15-trienamide.
What is the SMILES notation for (9Z,12Z,15Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12,15-trienamide?
The canonical SMILES for (9Z,12Z,15Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12,15-trienamide is CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12.
What is the InChIKey of (9Z,12Z,15Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12,15-trienamide?
The InChIKey is MAFMPVLBSWXLHL-PDBXOOCHSA-N. The full InChI is InChI=1S/C28H40N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(32)29-21-20-24-23-30-27-19-18-25(31)22-26(24)27/h3-4,6-7,9-10,18-19,22-23,30-31H,2,5,8,11-17,20-21H2,1H3,(H,29,32)/b4-3-,7-6-,10-9-.
What are the key properties of (9Z,12Z,15Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12,15-trienamide?
(9Z,12Z,15Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12,15-trienamide has a molecular weight of 436.64 g/mol, XLogP of 7.12, 16 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,12Z,15Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-9,12,15-trienamide is sourced from PubChem (CID 24749162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).