(5Z,8Z,11Z,14Z)-N-(1H-indazol-5-ylmethyl)icosa-5,8,11,14-tetraenamide

C28H39N3O — CID 130453312

IUPAC(5Z,8Z,11Z,14Z)-N-(1H-indazol-5-ylmethyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1ccc2[nH]ncc2c1
InChIInChI=1S/C28H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-25-20-21-27-26(22-25)24-30-31-27/h6-7,9-10,12-13,15-16,20-22,24H,2-5,8,11,14,17-19,23H2,1H3,(H,29,32)(H,30,31)/b7-6-,10-9-,13-12-,16-15-
InChIKeyLKZQWKFZALMAFI-DOFZRALJSA-N
MW433.64 g/mol
LogP7.32
Rot. Bonds16

About (5Z,8Z,11Z,14Z)-N-(1H-indazol-5-ylmethyl)icosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-(1H-indazol-5-ylmethyl)icosa-5,8,11,14-tetraenamide (PubChem CID 130453312) has the molecular formula C28H39N3O and a molecular weight of 433.64 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(1H-indazol-5-ylmethyl)icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(1H-indazol-5-ylmethyl)icosa-5,8,11,14-tetraenamide
PubChem CID130453312
Molecular FormulaC28H39N3O
Molecular Weight433.64 g/mol
Exact Mass433.31
IUPAC Name(5Z,8Z,11Z,14Z)-N-(1H-indazol-5-ylmethyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1ccc2[nH]ncc2c1
InChIInChI=1S/C28H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-25-20-21-27-26(22-25)24-30-31-27/h6-7,9-10,12-13,15-16,20-22,24H,2-5,8,11,14,17-19,23H2,1H3,(H,29,32)(H,30,31)/b7-6-,10-9-,13-12-,16-15-
InChIKeyLKZQWKFZALMAFI-DOFZRALJSA-N
XLogP7.32
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.64
LogP ≤ 57.32
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'}

Analyze (5Z,8Z,11Z,14Z)-N-(1H-indazol-5-ylmethyl)icosa-5,8,11,14-tetraenamide with MolForge

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Launch Full Analysis

Related Compounds

(5Z,8Z,11Z,14Z)-N-(1H-indazol-5-yl)icosa-5,8,11,14-tetraenamide
CID 25178128
N-(1H-indazol-5-ylmethyl)propanamide
CID 165111571
5-dodecyl-1H-indazole
CID 67799721
(E)-N-benzylhexadec-4-enamide
CID 175178729
N-benzyldocos-13-enamide;hydrochloride
CID 173286408
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
tert-butyl N-(1H-indazol-5-ylmethyl)carbamate
CID 59462463
N-[(3,4-dichlorophenyl)methyl]nonanamide
CID 4058649
N-[(3-methoxyphenyl)methyl]octadec-9-enamide
CID 86237122
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
N-[(octadeca-9,12-dienoylamino)methyl]octadeca-9,12-dienamide
CID 54300441
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)henicosa-5,8,11,14-tetraenamide
CID 5283459

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-N-(1H-indazol-5-ylmethyl)icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(1H-indazol-5-ylmethyl)icosa-5,8,11,14-tetraenamide (CID 130453312) is (5Z,8Z,11Z,14Z)-N-(1H-indazol-5-ylmethyl)icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(1H-indazol-5-ylmethyl)icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(1H-indazol-5-ylmethyl)icosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCc1ccc2[nH]ncc2c1.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(1H-indazol-5-ylmethyl)icosa-5,8,11,14-tetraenamide?
The InChIKey is LKZQWKFZALMAFI-DOFZRALJSA-N. The full InChI is InChI=1S/C28H39N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-25-20-21-27-26(22-25)24-30-31-27/h6-7,9-10,12-13,15-16,20-22,24H,2-5,8,11,14,17-19,23H2,1H3,(H,29,32)(H,30,31)/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(1H-indazol-5-ylmethyl)icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(1H-indazol-5-ylmethyl)icosa-5,8,11,14-tetraenamide has a molecular weight of 433.64 g/mol, XLogP of 7.32, 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)-N-(1H-indazol-5-ylmethyl)icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 130453312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).