3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H33N3O4 — CID 70784007

IUPAC3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN(C)CCN1CC2(CCN(C3CCOCC3)CC2)OC1=O
InChIInChI=1S/C18H33N3O4/c1-19(11-14-23-2)9-10-21-15-18(25-17(21)22)5-7-20(8-6-18)16-3-12-24-13-4-16/h16H,3-15H2,1-2H3
InChIKeyOSUVMKJMOJQORL-UHFFFAOYSA-N
MW355.48 g/mol
LogP1.03
Rot. Bonds7

About 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70784007) has the molecular formula C18H33N3O4 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70784007
Molecular FormulaC18H33N3O4
Molecular Weight355.48 g/mol
Exact Mass355.25
IUPAC Name3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN(C)CCN1CC2(CCN(C3CCOCC3)CC2)OC1=O
InChIInChI=1S/C18H33N3O4/c1-19(11-14-23-2)9-10-21-15-18(25-17(21)22)5-7-20(8-6-18)16-3-12-24-13-4-16/h16H,3-15H2,1-2H3
InChIKeyOSUVMKJMOJQORL-UHFFFAOYSA-N
XLogP1.03
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(Dimethylamino)propyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70704527
3-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-8-(tetrahydro-2H-pyran-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70710659
3-(3-methylbutyl)-8-(tetrahydro-2H-pyran-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70718439
3-{2-[(2-Methoxyethyl)(methyl)amino]ethyl}-8-(tetrahydrofuran-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70720106
8-Cyclohexyl-3-{2-[(2-methoxyethyl)(methyl)amino]ethyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70752778
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(tetrahydro-2H-pyran-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70704320
1,1-Dimethylethyl 3-(4-morpholinyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 6473704
tert-butyl (3S,5R,6S)-6-fluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 125453122
tert-butyl (3S,5R,6R)-6-fluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 125453132
tert-butyl (3S,5S,6R)-6-fluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 125453134
tert-butyl (3S,5S,6S)-6-fluoro-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 125453137
tert-Butyl 3-{[(tert-butoxy)carbonyl](methyl)amino}-6-fluoro-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 137702870

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70784007) is 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COCCN(C)CCN1CC2(CCN(C3CCOCC3)CC2)OC1=O.
What is the InChIKey of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is OSUVMKJMOJQORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O4/c1-19(11-14-23-2)9-10-21-15-18(25-17(21)22)5-7-20(8-6-18)16-3-12-24-13-4-16/h16H,3-15H2,1-2H3.
What are the key properties of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 355.48 g/mol, XLogP of 1.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70784007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).