(5Z,8Z,17Z)-N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide

C24H38N2O2 — CID 90031560

IUPAC(5Z,8Z,17Z)-N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide
SMILESCC/C=C\CC=CCC=CC/C=C\C/C=C\CCCC(=O)NCCNC(C)=O
InChIInChI=1S/C24H38N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(28)26-22-21-25-23(2)27/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-22H2,1-2H3,(H,25,27)(H,26,28)/b5-4-,8-7?,11-10?,14-13-,17-16-
InChIKeyWIVQHJJZACBIGB-LFKUCHTASA-N
MW386.58 g/mol
LogP5.16
Rot. Bonds16

About (5Z,8Z,17Z)-N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide

(5Z,8Z,17Z)-N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide (PubChem CID 90031560) has the molecular formula C24H38N2O2 and a molecular weight of 386.58 g/mol. Its IUPAC name is (5Z,8Z,17Z)-N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide.

Molecular Properties

Compound Name(5Z,8Z,17Z)-N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide
PubChem CID90031560
Molecular FormulaC24H38N2O2
Molecular Weight386.58 g/mol
Exact Mass386.29
IUPAC Name(5Z,8Z,17Z)-N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide
SMILESCC/C=C\CC=CCC=CC/C=C\C/C=C\CCCC(=O)NCCNC(C)=O
InChIInChI=1S/C24H38N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(28)26-22-21-25-23(2)27/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-22H2,1-2H3,(H,25,27)(H,26,28)/b5-4-,8-7?,11-10?,14-13-,17-16-
InChIKeyWIVQHJJZACBIGB-LFKUCHTASA-N
XLogP5.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 55.16
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'}

Analyze (5Z,8Z,17Z)-N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide with MolForge

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Related Compounds

N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide
CID 140637385
(5Z,8Z,11Z,14Z,17Z)-N-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethyl]icosa-5,8,11,14,17-pentaenamide
CID 53374375
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 53374072
(5Z,8Z,11Z,14Z,17Z)-N-(2-aminoethyl)icosa-5,8,11,14,17-pentaenamide
CID 86696154
S-[2-[[(5E,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethyl] ethanethioate
CID 71528458
2-[3-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]propanoylamino]acetic acid
CID 144753909
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethylsulfanyl]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 140612585
N-[2-(2-aminoethylamino)ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 139676066
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 123821068
(5E,8E,11E,14E,17E)-N-[6-hydroxy-5-(hydroxymethyl)hexyl]icosa-5,8,11,14,17-pentaenamide
CID 178188600
5-[2-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethyldisulfanyl]ethylamino]-5-oxopentanoic acid
CID 71509691
(9Z,12Z,15Z)-N-[3-(dimethylamino)propyl]octadeca-9,12,15-trienamide
CID 155472776

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,17Z)-N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide?
The IUPAC name of (5Z,8Z,17Z)-N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide (CID 90031560) is (5Z,8Z,17Z)-N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide.
What is the SMILES notation for (5Z,8Z,17Z)-N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide?
The canonical SMILES for (5Z,8Z,17Z)-N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide is CC/C=C\CC=CCC=CC/C=C\C/C=C\CCCC(=O)NCCNC(C)=O.
What is the InChIKey of (5Z,8Z,17Z)-N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide?
The InChIKey is WIVQHJJZACBIGB-LFKUCHTASA-N. The full InChI is InChI=1S/C24H38N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(28)26-22-21-25-23(2)27/h4-5,7-8,10-11,13-14,16-17H,3,6,9,12,15,18-22H2,1-2H3,(H,25,27)(H,26,28)/b5-4-,8-7?,11-10?,14-13-,17-16-.
What are the key properties of (5Z,8Z,17Z)-N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide?
(5Z,8Z,17Z)-N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide has a molecular weight of 386.58 g/mol, XLogP of 5.16, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,17Z)-N-(2-acetamidoethyl)icosa-5,8,11,14,17-pentaenamide is sourced from PubChem (CID 90031560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).