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

C18H33N3O4 — CID 70710659

IUPAC3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN(C)CCN1CC2(CCN(C3CCCOC3)CC2)OC1=O
InChIInChI=1S/C18H33N3O4/c1-19(11-13-23-2)9-10-21-15-18(25-17(21)22)5-7-20(8-6-18)16-4-3-12-24-14-16/h16H,3-15H2,1-2H3
InChIKeyQDQHWUBPPHAFNZ-UHFFFAOYSA-N
MW355.48 g/mol
LogP1.03
Rot. Bonds7

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

3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70710659) 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-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70710659
Molecular FormulaC18H33N3O4
Molecular Weight355.48 g/mol
Exact Mass355.25
IUPAC Name3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN(C)CCN1CC2(CCN(C3CCCOC3)CC2)OC1=O
InChIInChI=1S/C18H33N3O4/c1-19(11-13-23-2)9-10-21-15-18(25-17(21)22)5-7-20(8-6-18)16-4-3-12-24-14-16/h16H,3-15H2,1-2H3
InChIKeyQDQHWUBPPHAFNZ-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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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70710659) is 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-3-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-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COCCN(C)CCN1CC2(CCN(C3CCCOC3)CC2)OC1=O.
What is the InChIKey of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is QDQHWUBPPHAFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O4/c1-19(11-13-23-2)9-10-21-15-18(25-17(21)22)5-7-20(8-6-18)16-4-3-12-24-14-16/h16H,3-15H2,1-2H3.
What are the key properties of 3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[2-[2-methoxyethyl(methyl)amino]ethyl]-8-(oxan-3-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-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70710659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).