5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one

C16H32N2O2 — CID 115944261

IUPAC5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCN1CC(CN)OC1=O
InChIInChI=1S/C16H32N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(13-17)20-16(18)19/h15H,2-14,17H2,1H3
InChIKeyNVRQFFOTKWSAOH-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.69
Rot. Bonds12

About 5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one

5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one (PubChem CID 115944261) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one
PubChem CID115944261
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one
SMILESCCCCCCCCCCCCN1CC(CN)OC1=O
InChIInChI=1S/C16H32N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(13-17)20-16(18)19/h15H,2-14,17H2,1H3
InChIKeyNVRQFFOTKWSAOH-UHFFFAOYSA-N
XLogP3.69
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one (CID 115944261) is 5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one is CCCCCCCCCCCCN1CC(CN)OC1=O.
What is the InChIKey of 5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one?
The InChIKey is NVRQFFOTKWSAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(13-17)20-16(18)19/h15H,2-14,17H2,1H3.
What are the key properties of 5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one has a molecular weight of 284.44 g/mol, XLogP of 3.69, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115944261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).