(5Z,8Z,11Z,14Z)-N-[(1S,2S)-2-hydroxycyclohexyl]icosa-5,8,11,14-tetraenamide

C26H43NO2 — CID 10834918

IUPAC(5Z,8Z,11Z,14Z)-N-[(1S,2S)-2-hydroxycyclohexyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C26H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26(29)27-24-21-19-20-22-25(24)28/h6-7,9-10,12-13,15-16,24-25,28H,2-5,8,11,14,17-23H2,1H3,(H,27,29)/b7-6-,10-9-,13-12-,16-15-/t24-,25-/m0/s1
InChIKeyUAFONOACSPNASL-RXSRYHHASA-N
MW401.64 g/mol
LogP6.55
Rot. Bonds15

About (5Z,8Z,11Z,14Z)-N-[(1S,2S)-2-hydroxycyclohexyl]icosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-[(1S,2S)-2-hydroxycyclohexyl]icosa-5,8,11,14-tetraenamide (PubChem CID 10834918) has the molecular formula C26H43NO2 and a molecular weight of 401.64 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-[(1S,2S)-2-hydroxycyclohexyl]icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-[(1S,2S)-2-hydroxycyclohexyl]icosa-5,8,11,14-tetraenamide
PubChem CID10834918
Molecular FormulaC26H43NO2
Molecular Weight401.64 g/mol
Exact Mass401.33
IUPAC Name(5Z,8Z,11Z,14Z)-N-[(1S,2S)-2-hydroxycyclohexyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C26H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26(29)27-24-21-19-20-22-25(24)28/h6-7,9-10,12-13,15-16,24-25,28H,2-5,8,11,14,17-23H2,1H3,(H,27,29)/b7-6-,10-9-,13-12-,16-15-/t24-,25-/m0/s1
InChIKeyUAFONOACSPNASL-RXSRYHHASA-N
XLogP6.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.64
LogP ≤ 56.55
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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Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-N-[(1S,2S)-2-hydroxycyclohexyl]icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-[(1S,2S)-2-hydroxycyclohexyl]icosa-5,8,11,14-tetraenamide (CID 10834918) is (5Z,8Z,11Z,14Z)-N-[(1S,2S)-2-hydroxycyclohexyl]icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-[(1S,2S)-2-hydroxycyclohexyl]icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-[(1S,2S)-2-hydroxycyclohexyl]icosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-[(1S,2S)-2-hydroxycyclohexyl]icosa-5,8,11,14-tetraenamide?
The InChIKey is UAFONOACSPNASL-RXSRYHHASA-N. The full InChI is InChI=1S/C26H43NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26(29)27-24-21-19-20-22-25(24)28/h6-7,9-10,12-13,15-16,24-25,28H,2-5,8,11,14,17-23H2,1H3,(H,27,29)/b7-6-,10-9-,13-12-,16-15-/t24-,25-/m0/s1.
What are the key properties of (5Z,8Z,11Z,14Z)-N-[(1S,2S)-2-hydroxycyclohexyl]icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-[(1S,2S)-2-hydroxycyclohexyl]icosa-5,8,11,14-tetraenamide has a molecular weight of 401.64 g/mol, XLogP of 6.55, 15 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-[(1S,2S)-2-hydroxycyclohexyl]icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 10834918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).