3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C14H27N3O3 — CID 70729884

IUPAC3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN(C)CCN1CC2(CCN(C)CC2)OC1=O
InChIInChI=1S/C14H27N3O3/c1-15-6-4-14(5-7-15)12-17(13(18)20-14)9-8-16(2)10-11-19-3/h4-12H2,1-3H3
InChIKeyZVSMEGBQUNPECL-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.48
Rot. Bonds6

About 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70729884) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70729884
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN(C)CCN1CC2(CCN(C)CC2)OC1=O
InChIInChI=1S/C14H27N3O3/c1-15-6-4-14(5-7-15)12-17(13(18)20-14)9-8-16(2)10-11-19-3/h4-12H2,1-3H3
InChIKeyZVSMEGBQUNPECL-UHFFFAOYSA-N
XLogP0.48
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70729884) is 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COCCN(C)CCN1CC2(CCN(C)CC2)OC1=O.
What is the InChIKey of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is ZVSMEGBQUNPECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-15-6-4-14(5-7-15)12-17(13(18)20-14)9-8-16(2)10-11-19-3/h4-12H2,1-3H3.
What are the key properties of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 285.39 g/mol, XLogP of 0.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70729884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).