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

C24H38N2O3 — CID 77395733

IUPACN-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC1CC(=O)NO1
InChIInChI=1S/C24H38N2O3/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/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-21H2,1H3,(H,25,27)(H,26,28)
InChIKeyIZNFROYFHHSMGE-UHFFFAOYSA-N
MW402.58 g/mol
LogP5.07
Rot. Bonds16

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

N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14-tetraenamide (PubChem CID 77395733) has the molecular formula C24H38N2O3 and a molecular weight of 402.58 g/mol. Its IUPAC name is N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14-tetraenamide.

Molecular Properties

Compound NameN-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14-tetraenamide
PubChem CID77395733
Molecular FormulaC24H38N2O3
Molecular Weight402.58 g/mol
Exact Mass402.29
IUPAC NameN-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14-tetraenamide
SMILESCCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC1CC(=O)NO1
InChIInChI=1S/C24H38N2O3/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/h6-7,9-10,12-13,15-16,22H,2-5,8,11,14,17-21H2,1H3,(H,25,27)(H,26,28)
InChIKeyIZNFROYFHHSMGE-UHFFFAOYSA-N
XLogP5.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 55.07
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'}

Analyze N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14-tetraenamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14-tetraenamide?
The IUPAC name of N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14-tetraenamide (CID 77395733) is N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14-tetraenamide.
What is the SMILES notation for N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14-tetraenamide?
The canonical SMILES for N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14-tetraenamide is CCCCCC=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-tetraenamide?
The InChIKey is IZNFROYFHHSMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O3/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/h6-7,9-10,12-13,15-16,22H,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-tetraenamide?
N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]icosa-5,8,11,14-tetraenamide has a molecular weight of 402.58 g/mol, XLogP of 5.07, 16 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-tetraenamide is sourced from PubChem (CID 77395733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).