(4Z,7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)icosa-4,7,10,13,16-pentaenamide

C22H35NO2 — CID 102139399

IUPAC(4Z,7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)icosa-4,7,10,13,16-pentaenamide
SMILESCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCO
InChIInChI=1S/C22H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h4-5,7-8,10-11,13-14,16-17,24H,2-3,6,9,12,15,18-21H2,1H3,(H,23,25)/b5-4-,8-7-,11-10-,14-13-,17-16-
InChIKeyWXLVTVRMTDZIMJ-JEBPEJKESA-N
MW345.53 g/mol
LogP5.02
Rot. Bonds15

About (4Z,7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)icosa-4,7,10,13,16-pentaenamide

(4Z,7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)icosa-4,7,10,13,16-pentaenamide (PubChem CID 102139399) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)icosa-4,7,10,13,16-pentaenamide.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)icosa-4,7,10,13,16-pentaenamide
PubChem CID102139399
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC Name(4Z,7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)icosa-4,7,10,13,16-pentaenamide
SMILESCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCO
InChIInChI=1S/C22H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h4-5,7-8,10-11,13-14,16-17,24H,2-3,6,9,12,15,18-21H2,1H3,(H,23,25)/b5-4-,8-7-,11-10-,14-13-,17-16-
InChIKeyWXLVTVRMTDZIMJ-JEBPEJKESA-N
XLogP5.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)icosa-4,7,10,13,16-pentaenamide?
The IUPAC name of (4Z,7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)icosa-4,7,10,13,16-pentaenamide (CID 102139399) is (4Z,7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)icosa-4,7,10,13,16-pentaenamide.
What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)icosa-4,7,10,13,16-pentaenamide?
The canonical SMILES for (4Z,7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)icosa-4,7,10,13,16-pentaenamide is CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCO.
What is the InChIKey of (4Z,7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)icosa-4,7,10,13,16-pentaenamide?
The InChIKey is WXLVTVRMTDZIMJ-JEBPEJKESA-N. The full InChI is InChI=1S/C22H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h4-5,7-8,10-11,13-14,16-17,24H,2-3,6,9,12,15,18-21H2,1H3,(H,23,25)/b5-4-,8-7-,11-10-,14-13-,17-16-.
What are the key properties of (4Z,7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)icosa-4,7,10,13,16-pentaenamide?
(4Z,7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)icosa-4,7,10,13,16-pentaenamide has a molecular weight of 345.53 g/mol, XLogP of 5.02, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,13Z,16Z)-N-(2-hydroxyethyl)icosa-4,7,10,13,16-pentaenamide is sourced from PubChem (CID 102139399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).