(5Z,8Z,11Z,14Z,17Z)-N-[(2S)-3-oxobutan-2-yl]icosa-5,8,11,14,17-pentaenamide

C24H37NO2 — CID 58173176

IUPAC(5Z,8Z,11Z,14Z,17Z)-N-[(2S)-3-oxobutan-2-yl]icosa-5,8,11,14,17-pentaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)C(C)=O
InChIInChI=1S/C24H37NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22(2)23(3)26/h5-6,8-9,11-12,14-15,17-18,22H,4,7,10,13,16,19-21H2,1-3H3,(H,25,27)/b6-5-,9-8-,12-11-,15-14-,18-17-/t22-/m0/s1
InChIKeyZPHCYVBSJXEOJP-MJYGLFBNSA-N
MW371.57 g/mol
LogP6.00
Rot. Bonds15

About (5Z,8Z,11Z,14Z,17Z)-N-[(2S)-3-oxobutan-2-yl]icosa-5,8,11,14,17-pentaenamide

(5Z,8Z,11Z,14Z,17Z)-N-[(2S)-3-oxobutan-2-yl]icosa-5,8,11,14,17-pentaenamide (PubChem CID 58173176) has the molecular formula C24H37NO2 and a molecular weight of 371.57 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z,17Z)-N-[(2S)-3-oxobutan-2-yl]icosa-5,8,11,14,17-pentaenamide.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z,17Z)-N-[(2S)-3-oxobutan-2-yl]icosa-5,8,11,14,17-pentaenamide
PubChem CID58173176
Molecular FormulaC24H37NO2
Molecular Weight371.57 g/mol
Exact Mass371.28
IUPAC Name(5Z,8Z,11Z,14Z,17Z)-N-[(2S)-3-oxobutan-2-yl]icosa-5,8,11,14,17-pentaenamide
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)C(C)=O
InChIInChI=1S/C24H37NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22(2)23(3)26/h5-6,8-9,11-12,14-15,17-18,22H,4,7,10,13,16,19-21H2,1-3H3,(H,25,27)/b6-5-,9-8-,12-11-,15-14-,18-17-/t22-/m0/s1
InChIKeyZPHCYVBSJXEOJP-MJYGLFBNSA-N
XLogP6.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 56.00
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'}

Analyze (5Z,8Z,11Z,14Z,17Z)-N-[(2S)-3-oxobutan-2-yl]icosa-5,8,11,14,17-pentaenamide with MolForge

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Launch Full Analysis

Related Compounds

Arachidonylcyclopropylamide
CID 5311007
N-propyl arachidonoyl amine
CID 5283394
N-ethyl arachidonoyl amine
CID 5283391
N-isopropyl arachidonoyl amine
CID 5283395
N-butyl arachidonoyl amine
CID 5283396
N-(1S-methyl-propyl)arachidonoylamide
CID 5283401
N-(1R-methyl-propyl)arachidonoylamide
CID 5283402
(5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid allylamide
CID 10569413
(5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid sec-butylamide
CID 10832336
N-amyl arachidohoyl amine
CID 5283398
N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]butanamide
CID 44406737
N-arachidonoylglycinate
CID 40486877

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z,17Z)-N-[(2S)-3-oxobutan-2-yl]icosa-5,8,11,14,17-pentaenamide?
The IUPAC name of (5Z,8Z,11Z,14Z,17Z)-N-[(2S)-3-oxobutan-2-yl]icosa-5,8,11,14,17-pentaenamide (CID 58173176) is (5Z,8Z,11Z,14Z,17Z)-N-[(2S)-3-oxobutan-2-yl]icosa-5,8,11,14,17-pentaenamide.
What is the SMILES notation for (5Z,8Z,11Z,14Z,17Z)-N-[(2S)-3-oxobutan-2-yl]icosa-5,8,11,14,17-pentaenamide?
The canonical SMILES for (5Z,8Z,11Z,14Z,17Z)-N-[(2S)-3-oxobutan-2-yl]icosa-5,8,11,14,17-pentaenamide is CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)C(C)=O.
What is the InChIKey of (5Z,8Z,11Z,14Z,17Z)-N-[(2S)-3-oxobutan-2-yl]icosa-5,8,11,14,17-pentaenamide?
The InChIKey is ZPHCYVBSJXEOJP-MJYGLFBNSA-N. The full InChI is InChI=1S/C24H37NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22(2)23(3)26/h5-6,8-9,11-12,14-15,17-18,22H,4,7,10,13,16,19-21H2,1-3H3,(H,25,27)/b6-5-,9-8-,12-11-,15-14-,18-17-/t22-/m0/s1.
What are the key properties of (5Z,8Z,11Z,14Z,17Z)-N-[(2S)-3-oxobutan-2-yl]icosa-5,8,11,14,17-pentaenamide?
(5Z,8Z,11Z,14Z,17Z)-N-[(2S)-3-oxobutan-2-yl]icosa-5,8,11,14,17-pentaenamide has a molecular weight of 371.57 g/mol, XLogP of 6.00, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z,17Z)-N-[(2S)-3-oxobutan-2-yl]icosa-5,8,11,14,17-pentaenamide is sourced from PubChem (CID 58173176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).