3-(3-methoxypropyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one

C11H22N2O3 — CID 117002450

IUPAC3-(3-methoxypropyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one
SMILESCNCCC1COC(=O)N(CCCOC)C1
InChIInChI=1S/C11H22N2O3/c1-12-5-4-10-8-13(6-3-7-15-2)11(14)16-9-10/h10,12H,3-9H2,1-2H3
InChIKeyUHRLONWLDHFNCQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.70
Rot. Bonds7

About 3-(3-methoxypropyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one

3-(3-methoxypropyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one (PubChem CID 117002450) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one
PubChem CID117002450
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-(3-methoxypropyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one
SMILESCNCCC1COC(=O)N(CCCOC)C1
InChIInChI=1S/C11H22N2O3/c1-12-5-4-10-8-13(6-3-7-15-2)11(14)16-9-10/h10,12H,3-9H2,1-2H3
InChIKeyUHRLONWLDHFNCQ-UHFFFAOYSA-N
XLogP0.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-(3-methoxypropyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-(3-methoxypropyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one (CID 117002450) is 3-(3-methoxypropyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(3-methoxypropyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-(3-methoxypropyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one is CNCCC1COC(=O)N(CCCOC)C1.
What is the InChIKey of 3-(3-methoxypropyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one?
The InChIKey is UHRLONWLDHFNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-12-5-4-10-8-13(6-3-7-15-2)11(14)16-9-10/h10,12H,3-9H2,1-2H3.
What are the key properties of 3-(3-methoxypropyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one?
3-(3-methoxypropyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one has a molecular weight of 230.31 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 117002450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).