(5Z,8Z,11Z,14Z)-16,16-dimethyl-N-propyldocosa-5,8,11,14-tetraenamide

C27H47NO — CID 5283428

IUPAC(5Z,8Z,11Z,14Z)-16,16-dimethyl-N-propyldocosa-5,8,11,14-tetraenamide
SMILESCCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCC
InChIInChI=1S/C27H47NO/c1-5-7-8-20-23-27(3,4)24-21-18-16-14-12-10-9-11-13-15-17-19-22-26(29)28-25-6-2/h9-10,13-16,21,24H,5-8,11-12,17-20,22-23,25H2,1-4H3,(H,28,29)/b10-9-,15-13-,16-14-,24-21-
InChIKeyIRYRMYBLFNDWKY-GWEUNTIUSA-N
MW401.68 g/mol
LogP8.07
Rot. Bonds18

About (5Z,8Z,11Z,14Z)-16,16-dimethyl-N-propyldocosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-16,16-dimethyl-N-propyldocosa-5,8,11,14-tetraenamide (PubChem CID 5283428) has the molecular formula C27H47NO and a molecular weight of 401.68 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-16,16-dimethyl-N-propyldocosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-16,16-dimethyl-N-propyldocosa-5,8,11,14-tetraenamide
PubChem CID5283428
Molecular FormulaC27H47NO
Molecular Weight401.68 g/mol
Exact Mass401.37
IUPAC Name(5Z,8Z,11Z,14Z)-16,16-dimethyl-N-propyldocosa-5,8,11,14-tetraenamide
SMILESCCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCC
InChIInChI=1S/C27H47NO/c1-5-7-8-20-23-27(3,4)24-21-18-16-14-12-10-9-11-13-15-17-19-22-26(29)28-25-6-2/h9-10,13-16,21,24H,5-8,11-12,17-20,22-23,25H2,1-4H3,(H,28,29)/b10-9-,15-13-,16-14-,24-21-
InChIKeyIRYRMYBLFNDWKY-GWEUNTIUSA-N
XLogP8.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.68
LogP ≤ 58.07
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)-16,16-dimethyl-N-propyldocosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-16,16-dimethyl-N-propyldocosa-5,8,11,14-tetraenamide (CID 5283428) is (5Z,8Z,11Z,14Z)-16,16-dimethyl-N-propyldocosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-16,16-dimethyl-N-propyldocosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-16,16-dimethyl-N-propyldocosa-5,8,11,14-tetraenamide is CCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCC.
What is the InChIKey of (5Z,8Z,11Z,14Z)-16,16-dimethyl-N-propyldocosa-5,8,11,14-tetraenamide?
The InChIKey is IRYRMYBLFNDWKY-GWEUNTIUSA-N. The full InChI is InChI=1S/C27H47NO/c1-5-7-8-20-23-27(3,4)24-21-18-16-14-12-10-9-11-13-15-17-19-22-26(29)28-25-6-2/h9-10,13-16,21,24H,5-8,11-12,17-20,22-23,25H2,1-4H3,(H,28,29)/b10-9-,15-13-,16-14-,24-21-.
What are the key properties of (5Z,8Z,11Z,14Z)-16,16-dimethyl-N-propyldocosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-16,16-dimethyl-N-propyldocosa-5,8,11,14-tetraenamide has a molecular weight of 401.68 g/mol, XLogP of 8.07, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-16,16-dimethyl-N-propyldocosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 5283428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).