N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-6,9,12-trienamide

C22H36N2O3 — CID 77179700

IUPACN-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-6,9,12-trienamide
SMILESCCCCCC=CCC=CCC=CCCCCC(=O)NCC1CC(=O)NO1
InChIInChI=1S/C22H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)23-19-20-18-22(26)24-27-20/h6-7,9-10,12-13,20H,2-5,8,11,14-19H2,1H3,(H,23,25)(H,24,26)
InChIKeyFDOBIODDSLSFFA-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.51
Rot. Bonds15

About N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-6,9,12-trienamide

N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-6,9,12-trienamide (PubChem CID 77179700) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-6,9,12-trienamide.

Molecular Properties

Compound NameN-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-6,9,12-trienamide
PubChem CID77179700
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC NameN-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-6,9,12-trienamide
SMILESCCCCCC=CCC=CCC=CCCCCC(=O)NCC1CC(=O)NO1
InChIInChI=1S/C22H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)23-19-20-18-22(26)24-27-20/h6-7,9-10,12-13,20H,2-5,8,11,14-19H2,1H3,(H,23,25)(H,24,26)
InChIKeyFDOBIODDSLSFFA-UHFFFAOYSA-N
XLogP4.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.51
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]octadeca-6,9,12-trienamide?
The IUPAC name of N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-6,9,12-trienamide (CID 77179700) is N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-6,9,12-trienamide.
What is the SMILES notation for N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-6,9,12-trienamide?
The canonical SMILES for N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-6,9,12-trienamide is CCCCCC=CCC=CCC=CCCCCC(=O)NCC1CC(=O)NO1.
What is the InChIKey of N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-6,9,12-trienamide?
The InChIKey is FDOBIODDSLSFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)23-19-20-18-22(26)24-27-20/h6-7,9-10,12-13,20H,2-5,8,11,14-19H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-6,9,12-trienamide?
N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-6,9,12-trienamide has a molecular weight of 376.54 g/mol, XLogP of 4.51, 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]octadeca-6,9,12-trienamide is sourced from PubChem (CID 77179700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).