(21R)-22-hydroxy-21-methyldocosa-5,8,11,14-tetraenamide

C23H39NO2 — CID 91405814

IUPAC(21R)-22-hydroxy-21-methyldocosa-5,8,11,14-tetraenamide
SMILESC[C@@H](CO)CCCCCC=CCC=CCC=CCC=CCCCC(N)=O
InChIInChI=1S/C23H39NO2/c1-22(21-25)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-23(24)26/h2-3,6-9,12,14,22,25H,4-5,10-11,13,15-21H2,1H3,(H2,24,26)/t22-/m1/s1
InChIKeyALTNWGOJIDDQPH-JOCHJYFZSA-N
MW361.57 g/mol
LogP5.62
Rot. Bonds17

About (21R)-22-hydroxy-21-methyldocosa-5,8,11,14-tetraenamide

(21R)-22-hydroxy-21-methyldocosa-5,8,11,14-tetraenamide (PubChem CID 91405814) has the molecular formula C23H39NO2 and a molecular weight of 361.57 g/mol. Its IUPAC name is (21R)-22-hydroxy-21-methyldocosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(21R)-22-hydroxy-21-methyldocosa-5,8,11,14-tetraenamide
PubChem CID91405814
Molecular FormulaC23H39NO2
Molecular Weight361.57 g/mol
Exact Mass361.30
IUPAC Name(21R)-22-hydroxy-21-methyldocosa-5,8,11,14-tetraenamide
SMILESC[C@@H](CO)CCCCCC=CCC=CCC=CCC=CCCCC(N)=O
InChIInChI=1S/C23H39NO2/c1-22(21-25)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-23(24)26/h2-3,6-9,12,14,22,25H,4-5,10-11,13,15-21H2,1H3,(H2,24,26)/t22-/m1/s1
InChIKeyALTNWGOJIDDQPH-JOCHJYFZSA-N
XLogP5.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.57
LogP ≤ 55.62
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

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CID 18431719
heptatriaconta-9,12,25,28-tetraenediamide
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octatriaconta-9,12,26,29-tetraenediamide
CID 154085850
2-methyldec-8-en-1-ol
CID 151918594
(5Z,9Z,12Z,15Z,18Z,21Z,34S)-34-methylhexatriaconta-5,9,12,15,18,21-hexaenoic acid
CID 52921771
(10E,13E)-20-hydroxy-4-methylicosa-10,13-dienoic acid
CID 18981404
10-hydroxy-7,9-dimethyldecanamide
CID 174403190
tricosa-7,10,18-trienamide
CID 90687362
icosa-5,8,11,14,17-pentaenamide
CID 160981167
21-methyldotetracontanediamide
CID 87333254
2-methylicosa-11,14-dienamide
CID 175746328

Frequently Asked Questions

What is the IUPAC name of (21R)-22-hydroxy-21-methyldocosa-5,8,11,14-tetraenamide?
The IUPAC name of (21R)-22-hydroxy-21-methyldocosa-5,8,11,14-tetraenamide (CID 91405814) is (21R)-22-hydroxy-21-methyldocosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (21R)-22-hydroxy-21-methyldocosa-5,8,11,14-tetraenamide?
The canonical SMILES for (21R)-22-hydroxy-21-methyldocosa-5,8,11,14-tetraenamide is C[C@@H](CO)CCCCCC=CCC=CCC=CCC=CCCCC(N)=O.
What is the InChIKey of (21R)-22-hydroxy-21-methyldocosa-5,8,11,14-tetraenamide?
The InChIKey is ALTNWGOJIDDQPH-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H39NO2/c1-22(21-25)19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-23(24)26/h2-3,6-9,12,14,22,25H,4-5,10-11,13,15-21H2,1H3,(H2,24,26)/t22-/m1/s1.
What are the key properties of (21R)-22-hydroxy-21-methyldocosa-5,8,11,14-tetraenamide?
(21R)-22-hydroxy-21-methyldocosa-5,8,11,14-tetraenamide has a molecular weight of 361.57 g/mol, XLogP of 5.62, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (21R)-22-hydroxy-21-methyldocosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 91405814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).