(5Z,8Z,11Z,14Z)-20-[2-(dimethylamino)phenyl]icosa-5,8,11,14-tetraenamide

C28H42N2O — CID 122703848

IUPAC(5Z,8Z,11Z,14Z)-20-[2-(dimethylamino)phenyl]icosa-5,8,11,14-tetraenamide
SMILESCN(C)c1ccccc1CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(N)=O
InChIInChI=1S/C28H42N2O/c1-30(2)27-24-21-20-23-26(27)22-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-25-28(29)31/h3-4,7-10,13,15,20-21,23-24H,5-6,11-12,14,16-19,22,25H2,1-2H3,(H2,29,31)/b4-3-,9-7-,10-8-,15-13-
InChIKeyJZJUBEXBFVTTHK-JPZBVVEWSA-N
MW422.66 g/mol
LogP6.91
Rot. Bonds17

About (5Z,8Z,11Z,14Z)-20-[2-(dimethylamino)phenyl]icosa-5,8,11,14-tetraenamide

(5Z,8Z,11Z,14Z)-20-[2-(dimethylamino)phenyl]icosa-5,8,11,14-tetraenamide (PubChem CID 122703848) has the molecular formula C28H42N2O and a molecular weight of 422.66 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-20-[2-(dimethylamino)phenyl]icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-20-[2-(dimethylamino)phenyl]icosa-5,8,11,14-tetraenamide
PubChem CID122703848
Molecular FormulaC28H42N2O
Molecular Weight422.66 g/mol
Exact Mass422.33
IUPAC Name(5Z,8Z,11Z,14Z)-20-[2-(dimethylamino)phenyl]icosa-5,8,11,14-tetraenamide
SMILESCN(C)c1ccccc1CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(N)=O
InChIInChI=1S/C28H42N2O/c1-30(2)27-24-21-20-23-26(27)22-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-25-28(29)31/h3-4,7-10,13,15,20-21,23-24H,5-6,11-12,14,16-19,22,25H2,1-2H3,(H2,29,31)/b4-3-,9-7-,10-8-,15-13-
InChIKeyJZJUBEXBFVTTHK-JPZBVVEWSA-N
XLogP6.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.66
LogP ≤ 56.91
H-Bond Donors ≤ 51
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)-20-[2-(dimethylamino)phenyl]icosa-5,8,11,14-tetraenamide?
The IUPAC name of (5Z,8Z,11Z,14Z)-20-[2-(dimethylamino)phenyl]icosa-5,8,11,14-tetraenamide (CID 122703848) is (5Z,8Z,11Z,14Z)-20-[2-(dimethylamino)phenyl]icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-20-[2-(dimethylamino)phenyl]icosa-5,8,11,14-tetraenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z)-20-[2-(dimethylamino)phenyl]icosa-5,8,11,14-tetraenamide is CN(C)c1ccccc1CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(N)=O.
What is the InChIKey of (5Z,8Z,11Z,14Z)-20-[2-(dimethylamino)phenyl]icosa-5,8,11,14-tetraenamide?
The InChIKey is JZJUBEXBFVTTHK-JPZBVVEWSA-N. The full InChI is InChI=1S/C28H42N2O/c1-30(2)27-24-21-20-23-26(27)22-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-25-28(29)31/h3-4,7-10,13,15,20-21,23-24H,5-6,11-12,14,16-19,22,25H2,1-2H3,(H2,29,31)/b4-3-,9-7-,10-8-,15-13-.
What are the key properties of (5Z,8Z,11Z,14Z)-20-[2-(dimethylamino)phenyl]icosa-5,8,11,14-tetraenamide?
(5Z,8Z,11Z,14Z)-20-[2-(dimethylamino)phenyl]icosa-5,8,11,14-tetraenamide has a molecular weight of 422.66 g/mol, XLogP of 6.91, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-20-[2-(dimethylamino)phenyl]icosa-5,8,11,14-tetraenamide is sourced from PubChem (CID 122703848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).