(4Z,7Z,10Z,12Z,15Z,18Z)-N-(2-hydroxyethyl)henicosa-4,7,10,12,15,18-hexaenamide

C23H35NO2 — CID 53325344

IUPAC(4Z,7Z,10Z,12Z,15Z,18Z)-N-(2-hydroxyethyl)henicosa-4,7,10,12,15,18-hexaenamide
SMILESCC/C=C\C/C=C\C/C=C\C=C/C/C=C\C/C=C\CCC(=O)NCCO
InChIInChI=1S/C23H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-21-22-25/h3-4,6-7,9-12,14-15,17-18,25H,2,5,8,13,16,19-22H2,1H3,(H,24,26)/b4-3-,7-6-,10-9-,12-11-,15-14-,18-17-
InChIKeyIKTSAEAKQWDQDU-MBMMKWFLSA-N
MW357.54 g/mol
LogP5.18
Rot. Bonds15

About (4Z,7Z,10Z,12Z,15Z,18Z)-N-(2-hydroxyethyl)henicosa-4,7,10,12,15,18-hexaenamide

(4Z,7Z,10Z,12Z,15Z,18Z)-N-(2-hydroxyethyl)henicosa-4,7,10,12,15,18-hexaenamide (PubChem CID 53325344) has the molecular formula C23H35NO2 and a molecular weight of 357.54 g/mol. Its IUPAC name is (4Z,7Z,10Z,12Z,15Z,18Z)-N-(2-hydroxyethyl)henicosa-4,7,10,12,15,18-hexaenamide.

Molecular Properties

Compound Name(4Z,7Z,10Z,12Z,15Z,18Z)-N-(2-hydroxyethyl)henicosa-4,7,10,12,15,18-hexaenamide
PubChem CID53325344
Molecular FormulaC23H35NO2
Molecular Weight357.54 g/mol
Exact Mass357.27
IUPAC Name(4Z,7Z,10Z,12Z,15Z,18Z)-N-(2-hydroxyethyl)henicosa-4,7,10,12,15,18-hexaenamide
SMILESCC/C=C\C/C=C\C/C=C\C=C/C/C=C\C/C=C\CCC(=O)NCCO
InChIInChI=1S/C23H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-21-22-25/h3-4,6-7,9-12,14-15,17-18,25H,2,5,8,13,16,19-22H2,1H3,(H,24,26)/b4-3-,7-6-,10-9-,12-11-,15-14-,18-17-
InChIKeyIKTSAEAKQWDQDU-MBMMKWFLSA-N
XLogP5.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,12Z,15Z,18Z)-N-(2-hydroxyethyl)henicosa-4,7,10,12,15,18-hexaenamide?
The IUPAC name of (4Z,7Z,10Z,12Z,15Z,18Z)-N-(2-hydroxyethyl)henicosa-4,7,10,12,15,18-hexaenamide (CID 53325344) is (4Z,7Z,10Z,12Z,15Z,18Z)-N-(2-hydroxyethyl)henicosa-4,7,10,12,15,18-hexaenamide.
What is the SMILES notation for (4Z,7Z,10Z,12Z,15Z,18Z)-N-(2-hydroxyethyl)henicosa-4,7,10,12,15,18-hexaenamide?
The canonical SMILES for (4Z,7Z,10Z,12Z,15Z,18Z)-N-(2-hydroxyethyl)henicosa-4,7,10,12,15,18-hexaenamide is CC/C=C\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,12Z,15Z,18Z)-N-(2-hydroxyethyl)henicosa-4,7,10,12,15,18-hexaenamide?
The InChIKey is IKTSAEAKQWDQDU-MBMMKWFLSA-N. The full InChI is InChI=1S/C23H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-21-22-25/h3-4,6-7,9-12,14-15,17-18,25H,2,5,8,13,16,19-22H2,1H3,(H,24,26)/b4-3-,7-6-,10-9-,12-11-,15-14-,18-17-.
What are the key properties of (4Z,7Z,10Z,12Z,15Z,18Z)-N-(2-hydroxyethyl)henicosa-4,7,10,12,15,18-hexaenamide?
(4Z,7Z,10Z,12Z,15Z,18Z)-N-(2-hydroxyethyl)henicosa-4,7,10,12,15,18-hexaenamide has a molecular weight of 357.54 g/mol, XLogP of 5.18, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,12Z,15Z,18Z)-N-(2-hydroxyethyl)henicosa-4,7,10,12,15,18-hexaenamide is sourced from PubChem (CID 53325344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).