(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-16,16-dimethyldocosa-5,8,11,14-tetraenamide

C26H45NO2 — CID 5283457

IUPAC(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-16,16-dimethyldocosa-5,8,11,14-tetraenamide
SMILESCCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
InChIInChI=1S/C26H45NO2/c1-4-5-6-18-21-26(2,3)22-19-16-14-12-10-8-7-9-11-13-15-17-20-25(29)27-23-24-28/h7-8,11-14,19,22,28H,4-6,9-10,15-18,20-21,23-24H2,1-3H3,(H,27,29)/b8-7-,13-11-,14-12-,22-19-
InChIKeyOSHWPCDXHKYMLM-FARPMTRTSA-N
MW403.65 g/mol
LogP6.66
Rot. Bonds18

About (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-16,16-dimethyldocosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-16,16-dimethyldocosa-5,8,11,14-tetraenamide (PubChem CID 5283457) has the molecular formula C26H45NO2 and a molecular weight of 403.65 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-16,16-dimethyldocosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-16,16-dimethyldocosa-5,8,11,14-tetraenamide
PubChem CID5283457
Molecular FormulaC26H45NO2
Molecular Weight403.65 g/mol
Exact Mass403.35
IUPAC Name(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-16,16-dimethyldocosa-5,8,11,14-tetraenamide
SMILESCCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO
InChIInChI=1S/C26H45NO2/c1-4-5-6-18-21-26(2,3)22-19-16-14-12-10-8-7-9-11-13-15-17-20-25(29)27-23-24-28/h7-8,11-14,19,22,28H,4-6,9-10,15-18,20-21,23-24H2,1-3H3,(H,27,29)/b8-7-,13-11-,14-12-,22-19-
InChIKeyOSHWPCDXHKYMLM-FARPMTRTSA-N
XLogP6.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.65
LogP ≤ 56.66
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-(2-hydroxyethyl)-16,16-dimethyldocosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-16,16-dimethyldocosa-5,8,11,14-tetraenamide (CID 5283457) is (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-16,16-dimethyldocosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-16,16-dimethyldocosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-16,16-dimethyldocosa-5,8,11,14-tetraenamide is CCCCCCC(C)(C)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO.
What is the InChIKey of (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-16,16-dimethyldocosa-5,8,11,14-tetraenamide?
The InChIKey is OSHWPCDXHKYMLM-FARPMTRTSA-N. The full InChI is InChI=1S/C26H45NO2/c1-4-5-6-18-21-26(2,3)22-19-16-14-12-10-8-7-9-11-13-15-17-20-25(29)27-23-24-28/h7-8,11-14,19,22,28H,4-6,9-10,15-18,20-21,23-24H2,1-3H3,(H,27,29)/b8-7-,13-11-,14-12-,22-19-.
What are the key properties of (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-16,16-dimethyldocosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-16,16-dimethyldocosa-5,8,11,14-tetraenamide has a molecular weight of 403.65 g/mol, XLogP of 6.66, 18 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-(2-hydroxyethyl)-16,16-dimethyldocosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 5283457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).