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

C22H38N2O3 — CID 77179722

IUPACN-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-9,12-dienamide
SMILESCCCCCC=CCC=CCCCCCCCC(=O)NCC1CC(=O)NO1
InChIInChI=1S/C22H38N2O3/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/h6-7,9-10,20H,2-5,8,11-19H2,1H3,(H,23,25)(H,24,26)
InChIKeyKROWECIWXPZPNK-UHFFFAOYSA-N
MW378.56 g/mol
LogP4.74
Rot. Bonds16

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

N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-9,12-dienamide (PubChem CID 77179722) has the molecular formula C22H38N2O3 and a molecular weight of 378.56 g/mol. Its IUPAC name is N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-9,12-dienamide.

Molecular Properties

Compound NameN-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-9,12-dienamide
PubChem CID77179722
Molecular FormulaC22H38N2O3
Molecular Weight378.56 g/mol
Exact Mass378.29
IUPAC NameN-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-9,12-dienamide
SMILESCCCCCC=CCC=CCCCCCCCC(=O)NCC1CC(=O)NO1
InChIInChI=1S/C22H38N2O3/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/h6-7,9-10,20H,2-5,8,11-19H2,1H3,(H,23,25)(H,24,26)
InChIKeyKROWECIWXPZPNK-UHFFFAOYSA-N
XLogP4.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.74
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-9,12-dienamide?
The IUPAC name of N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-9,12-dienamide (CID 77179722) is N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-9,12-dienamide.
What is the SMILES notation for N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-9,12-dienamide?
The canonical SMILES for N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-9,12-dienamide is CCCCCC=CCC=CCCCCCCCC(=O)NCC1CC(=O)NO1.
What is the InChIKey of N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-9,12-dienamide?
The InChIKey is KROWECIWXPZPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O3/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/h6-7,9-10,20H,2-5,8,11-19H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-9,12-dienamide?
N-[(3-oxo-1,2-oxazolidin-5-yl)methyl]octadeca-9,12-dienamide has a molecular weight of 378.56 g/mol, XLogP of 4.74, 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]octadeca-9,12-dienamide is sourced from PubChem (CID 77179722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).