(2E,4E,6E,8E,10E)-N-(2-hydroxyethyl)icosa-2,4,6,8,10-pentaenamide

C22H35NO2 — CID 87172187

IUPAC(2E,4E,6E,8E,10E)-N-(2-hydroxyethyl)icosa-2,4,6,8,10-pentaenamide
SMILESCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=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/h10-19,24H,2-9,20-21H2,1H3,(H,23,25)/b11-10+,13-12+,15-14+,17-16+,19-18+
InChIKeyHCBYYVTYBQVKDL-METXMMQOSA-N
MW345.53 g/mol
LogP5.02
Rot. Bonds15

About (2E,4E,6E,8E,10E)-N-(2-hydroxyethyl)icosa-2,4,6,8,10-pentaenamide

(2E,4E,6E,8E,10E)-N-(2-hydroxyethyl)icosa-2,4,6,8,10-pentaenamide (PubChem CID 87172187) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E)-N-(2-hydroxyethyl)icosa-2,4,6,8,10-pentaenamide.

Molecular Properties

Compound Name(2E,4E,6E,8E,10E)-N-(2-hydroxyethyl)icosa-2,4,6,8,10-pentaenamide
PubChem CID87172187
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC Name(2E,4E,6E,8E,10E)-N-(2-hydroxyethyl)icosa-2,4,6,8,10-pentaenamide
SMILESCCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=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/h10-19,24H,2-9,20-21H2,1H3,(H,23,25)/b11-10+,13-12+,15-14+,17-16+,19-18+
InChIKeyHCBYYVTYBQVKDL-METXMMQOSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E,10E)-N-(2-hydroxyethyl)icosa-2,4,6,8,10-pentaenamide?
The IUPAC name of (2E,4E,6E,8E,10E)-N-(2-hydroxyethyl)icosa-2,4,6,8,10-pentaenamide (CID 87172187) is (2E,4E,6E,8E,10E)-N-(2-hydroxyethyl)icosa-2,4,6,8,10-pentaenamide.
What is the SMILES notation for (2E,4E,6E,8E,10E)-N-(2-hydroxyethyl)icosa-2,4,6,8,10-pentaenamide?
The canonical SMILES for (2E,4E,6E,8E,10E)-N-(2-hydroxyethyl)icosa-2,4,6,8,10-pentaenamide is CCCCCCCCC/C=C/C=C/C=C/C=C/C=C/C(=O)NCCO.
What is the InChIKey of (2E,4E,6E,8E,10E)-N-(2-hydroxyethyl)icosa-2,4,6,8,10-pentaenamide?
The InChIKey is HCBYYVTYBQVKDL-METXMMQOSA-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/h10-19,24H,2-9,20-21H2,1H3,(H,23,25)/b11-10+,13-12+,15-14+,17-16+,19-18+.
What are the key properties of (2E,4E,6E,8E,10E)-N-(2-hydroxyethyl)icosa-2,4,6,8,10-pentaenamide?
(2E,4E,6E,8E,10E)-N-(2-hydroxyethyl)icosa-2,4,6,8,10-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 (2E,4E,6E,8E,10E)-N-(2-hydroxyethyl)icosa-2,4,6,8,10-pentaenamide is sourced from PubChem (CID 87172187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).