(5Z,8Z,11Z,14Z,17Z)-N-(3,5-dimethyl-1-adamantyl)icosa-5,8,11,14,17-pentaenamide

C32H49NO — CID 121246415

IUPAC(5Z,8Z,11Z,14Z,17Z)-N-(3,5-dimethyl-1-adamantyl)icosa-5,8,11,14,17-pentaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C32H49NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29(34)33-32-24-28-22-30(2,26-32)25-31(3,23-28)27-32/h5-6,8-9,11-12,14-15,17-18,28H,4,7,10,13,16,19-27H2,1-3H3,(H,33,34)/b6-5-,9-8-,12-11-,15-14-,18-17-
InChIKeyHLXMCYWYIWLDGS-AAQCHOMXSA-N
MW463.75 g/mol
LogP8.77
Rot. Bonds14

About (5Z,8Z,11Z,14Z,17Z)-N-(3,5-dimethyl-1-adamantyl)icosa-5,8,11,14,17-pentaenamide

(5Z,8Z,11Z,14Z,17Z)-N-(3,5-dimethyl-1-adamantyl)icosa-5,8,11,14,17-pentaenamide (PubChem CID 121246415) has the molecular formula C32H49NO and a molecular weight of 463.75 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z,17Z)-N-(3,5-dimethyl-1-adamantyl)icosa-5,8,11,14,17-pentaenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z,17Z)-N-(3,5-dimethyl-1-adamantyl)icosa-5,8,11,14,17-pentaenamide
PubChem CID121246415
Molecular FormulaC32H49NO
Molecular Weight463.75 g/mol
Exact Mass463.38
IUPAC Name(5Z,8Z,11Z,14Z,17Z)-N-(3,5-dimethyl-1-adamantyl)icosa-5,8,11,14,17-pentaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C32H49NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29(34)33-32-24-28-22-30(2,26-32)25-31(3,23-28)27-32/h5-6,8-9,11-12,14-15,17-18,28H,4,7,10,13,16,19-27H2,1-3H3,(H,33,34)/b6-5-,9-8-,12-11-,15-14-,18-17-
InChIKeyHLXMCYWYIWLDGS-AAQCHOMXSA-N
XLogP8.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.75
LogP ≤ 58.77
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,17Z)-N-(3,5-dimethyl-1-adamantyl)icosa-5,8,11,14,17-pentaenamide?
The IUPAC name of (5Z,8Z,11Z,14Z,17Z)-N-(3,5-dimethyl-1-adamantyl)icosa-5,8,11,14,17-pentaenamide (CID 121246415) is (5Z,8Z,11Z,14Z,17Z)-N-(3,5-dimethyl-1-adamantyl)icosa-5,8,11,14,17-pentaenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z,17Z)-N-(3,5-dimethyl-1-adamantyl)icosa-5,8,11,14,17-pentaenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z,17Z)-N-(3,5-dimethyl-1-adamantyl)icosa-5,8,11,14,17-pentaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of (5Z,8Z,11Z,14Z,17Z)-N-(3,5-dimethyl-1-adamantyl)icosa-5,8,11,14,17-pentaenamide?
The InChIKey is HLXMCYWYIWLDGS-AAQCHOMXSA-N. The full InChI is InChI=1S/C32H49NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29(34)33-32-24-28-22-30(2,26-32)25-31(3,23-28)27-32/h5-6,8-9,11-12,14-15,17-18,28H,4,7,10,13,16,19-27H2,1-3H3,(H,33,34)/b6-5-,9-8-,12-11-,15-14-,18-17-.
What are the key properties of (5Z,8Z,11Z,14Z,17Z)-N-(3,5-dimethyl-1-adamantyl)icosa-5,8,11,14,17-pentaenamide?
(5Z,8Z,11Z,14Z,17Z)-N-(3,5-dimethyl-1-adamantyl)icosa-5,8,11,14,17-pentaenamide has a molecular weight of 463.75 g/mol, XLogP of 8.77, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z,17Z)-N-(3,5-dimethyl-1-adamantyl)icosa-5,8,11,14,17-pentaenamide is sourced from PubChem (CID 121246415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).