(5Z,8Z,11Z,14Z)-N-(1-adamantyl)icosa-5,8,11,14-tetraenamide

C30H47NO — CID 44589228

IUPAC(5Z,8Z,11Z,14Z)-N-(1-adamantyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C30H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(32)31-30-23-26-20-27(24-30)22-28(21-26)25-30/h6-7,9-10,12-13,15-16,26-28H,2-5,8,11,14,17-25H2,1H3,(H,31,32)/b7-6-,10-9-,13-12-,16-15-
InChIKeyMAQIVNQPDUSFOX-DOFZRALJSA-N
MW437.71 g/mol
LogP8.22
Rot. Bonds15

About (5Z,8Z,11Z,14Z)-N-(1-adamantyl)icosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-(1-adamantyl)icosa-5,8,11,14-tetraenamide (PubChem CID 44589228) has the molecular formula C30H47NO and a molecular weight of 437.71 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(1-adamantyl)icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(1-adamantyl)icosa-5,8,11,14-tetraenamide
PubChem CID44589228
Molecular FormulaC30H47NO
Molecular Weight437.71 g/mol
Exact Mass437.37
IUPAC Name(5Z,8Z,11Z,14Z)-N-(1-adamantyl)icosa-5,8,11,14-tetraenamide
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C30H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(32)31-30-23-26-20-27(24-30)22-28(21-26)25-30/h6-7,9-10,12-13,15-16,26-28H,2-5,8,11,14,17-25H2,1H3,(H,31,32)/b7-6-,10-9-,13-12-,16-15-
InChIKeyMAQIVNQPDUSFOX-DOFZRALJSA-N
XLogP8.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.71
LogP ≤ 58.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(1-adamantyl)icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(1-adamantyl)icosa-5,8,11,14-tetraenamide (CID 44589228) is (5Z,8Z,11Z,14Z)-N-(1-adamantyl)icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(1-adamantyl)icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(1-adamantyl)icosa-5,8,11,14-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(1-adamantyl)icosa-5,8,11,14-tetraenamide?
The InChIKey is MAQIVNQPDUSFOX-DOFZRALJSA-N. The full InChI is InChI=1S/C30H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(32)31-30-23-26-20-27(24-30)22-28(21-26)25-30/h6-7,9-10,12-13,15-16,26-28H,2-5,8,11,14,17-25H2,1H3,(H,31,32)/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(1-adamantyl)icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(1-adamantyl)icosa-5,8,11,14-tetraenamide has a molecular weight of 437.71 g/mol, XLogP of 8.22, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-N-(1-adamantyl)icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 44589228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).