(9E,11E,13E,15E)-20-hydroxy-19-methylicosa-9,11,13,15-tetraenamide

C21H35NO2 — CID 18431719

IUPAC(9E,11E,13E,15E)-20-hydroxy-19-methylicosa-9,11,13,15-tetraenamide
SMILESCC(CO)CC/C=C/C=C/C=C/C=C/CCCCCCCC(N)=O
InChIInChI=1S/C21H35NO2/c1-20(19-23)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-21(22)24/h2-5,7,9,11,13,20,23H,6,8,10,12,14-19H2,1H3,(H2,22,24)/b4-2+,5-3+,9-7+,13-11+
InChIKeyZLTMNNWCFSWEHW-IWMRCULNSA-N
MW333.52 g/mol
LogP4.84
Rot. Bonds15

About (9E,11E,13E,15E)-20-hydroxy-19-methylicosa-9,11,13,15-tetraenamide

(9E,11E,13E,15E)-20-hydroxy-19-methylicosa-9,11,13,15-tetraenamide (PubChem CID 18431719) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is (9E,11E,13E,15E)-20-hydroxy-19-methylicosa-9,11,13,15-tetraenamide.

Molecular Properties

Compound Name(9E,11E,13E,15E)-20-hydroxy-19-methylicosa-9,11,13,15-tetraenamide
PubChem CID18431719
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC Name(9E,11E,13E,15E)-20-hydroxy-19-methylicosa-9,11,13,15-tetraenamide
SMILESCC(CO)CC/C=C/C=C/C=C/C=C/CCCCCCCC(N)=O
InChIInChI=1S/C21H35NO2/c1-20(19-23)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-21(22)24/h2-5,7,9,11,13,20,23H,6,8,10,12,14-19H2,1H3,(H2,22,24)/b4-2+,5-3+,9-7+,13-11+
InChIKeyZLTMNNWCFSWEHW-IWMRCULNSA-N
XLogP4.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(21R)-22-hydroxy-21-methyldocosa-5,8,11,14-tetraenamide
CID 91405814
hentetraconta-10,31-dienediamide
CID 175604494
dopentaconta-13,39-dienediamide
CID 154089546
(E)-hexadec-8-enediamide
CID 21140246
(Z)-non-7-enamide
CID 5365368
10-hydroxy-7,9-dimethyldecanamide
CID 174403190
icosa-8,12-dienediamide
CID 154110661
2-methyldec-8-en-1-ol
CID 151918594
4-oxooctadeca-9,11,13-trienamide
CID 54365478
21-methyldotetracontanediamide
CID 87333254
2-methylbutane-1,4-diol;octadec-9-enoic acid
CID 173421300
(Z)-(113C)octadec-9-enamide
CID 175811454

Frequently Asked Questions

What is the IUPAC name of (9E,11E,13E,15E)-20-hydroxy-19-methylicosa-9,11,13,15-tetraenamide?
The IUPAC name of (9E,11E,13E,15E)-20-hydroxy-19-methylicosa-9,11,13,15-tetraenamide (CID 18431719) is (9E,11E,13E,15E)-20-hydroxy-19-methylicosa-9,11,13,15-tetraenamide.
What is the SMILES notation for (9E,11E,13E,15E)-20-hydroxy-19-methylicosa-9,11,13,15-tetraenamide?
The canonical SMILES for (9E,11E,13E,15E)-20-hydroxy-19-methylicosa-9,11,13,15-tetraenamide is CC(CO)CC/C=C/C=C/C=C/C=C/CCCCCCCC(N)=O.
What is the InChIKey of (9E,11E,13E,15E)-20-hydroxy-19-methylicosa-9,11,13,15-tetraenamide?
The InChIKey is ZLTMNNWCFSWEHW-IWMRCULNSA-N. The full InChI is InChI=1S/C21H35NO2/c1-20(19-23)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-21(22)24/h2-5,7,9,11,13,20,23H,6,8,10,12,14-19H2,1H3,(H2,22,24)/b4-2+,5-3+,9-7+,13-11+.
What are the key properties of (9E,11E,13E,15E)-20-hydroxy-19-methylicosa-9,11,13,15-tetraenamide?
(9E,11E,13E,15E)-20-hydroxy-19-methylicosa-9,11,13,15-tetraenamide has a molecular weight of 333.52 g/mol, XLogP of 4.84, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9E,11E,13E,15E)-20-hydroxy-19-methylicosa-9,11,13,15-tetraenamide is sourced from PubChem (CID 18431719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).