N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14,17-pentaenamide

C24H36N2O3 — CID 77179731

IUPACN-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14,17-pentaenamide
SMILESCCC=CCC=CCC=CCC=CCC=CCCCC(=O)NCC1CC(=O)NO1
InChIInChI=1S/C24H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)25-21-22-20-24(28)26-29-22/h3-4,6-7,9-10,12-13,15-16,22H,2,5,8,11,14,17-21H2,1H3,(H,25,27)(H,26,28)
InChIKeyZNAWDPVWPVZUFL-UHFFFAOYSA-N
MW400.56 g/mol
LogP4.84
Rot. Bonds15

About N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14,17-pentaenamide

N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14,17-pentaenamide (PubChem CID 77179731) has the molecular formula C24H36N2O3 and a molecular weight of 400.56 g/mol. Its IUPAC name is N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14,17-pentaenamide.

Molecular Properties

Compound NameN-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14,17-pentaenamide
PubChem CID77179731
Molecular FormulaC24H36N2O3
Molecular Weight400.56 g/mol
Exact Mass400.27
IUPAC NameN-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14,17-pentaenamide
SMILESCCC=CCC=CCC=CCC=CCC=CCCCC(=O)NCC1CC(=O)NO1
InChIInChI=1S/C24H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)25-21-22-20-24(28)26-29-22/h3-4,6-7,9-10,12-13,15-16,22H,2,5,8,11,14,17-21H2,1H3,(H,25,27)(H,26,28)
InChIKeyZNAWDPVWPVZUFL-UHFFFAOYSA-N
XLogP4.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14,17-pentaenamide?
The IUPAC name of N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14,17-pentaenamide (CID 77179731) is N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14,17-pentaenamide.
What is the SMILES notation for N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14,17-pentaenamide?
The canonical SMILES for N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14,17-pentaenamide is CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NCC1CC(=O)NO1.
What is the InChIKey of N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14,17-pentaenamide?
The InChIKey is ZNAWDPVWPVZUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)25-21-22-20-24(28)26-29-22/h3-4,6-7,9-10,12-13,15-16,22H,2,5,8,11,14,17-21H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14,17-pentaenamide?
N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14,17-pentaenamide has a molecular weight of 400.56 g/mol, XLogP of 4.84, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14,17-pentaenamide is sourced from PubChem (CID 77179731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).