3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

C18H29N3O4 — CID 3000204

IUPAC3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESCC1CN(C(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)CC(C)O1
InChIInChI=1S/C18H29N3O4/c1-13-10-20(11-14(2)25-13)15(22)12-21-16(23)18(19-17(21)24)8-6-4-3-5-7-9-18/h13-14H,3-12H2,1-2H3,(H,19,24)
InChIKeyGTODZIATXSOLIM-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.66
Rot. Bonds2

About 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (PubChem CID 3000204) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
PubChem CID3000204
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESCC1CN(C(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)CC(C)O1
InChIInChI=1S/C18H29N3O4/c1-13-10-20(11-14(2)25-13)15(22)12-21-16(23)18(19-17(21)24)8-6-4-3-5-7-9-18/h13-14H,3-12H2,1-2H3,(H,19,24)
InChIKeyGTODZIATXSOLIM-UHFFFAOYSA-N
XLogP1.66
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The IUPAC name of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (CID 3000204) is 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.
What is the SMILES notation for 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The canonical SMILES for 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is CC1CN(C(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)CC(C)O1.
What is the InChIKey of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The InChIKey is GTODZIATXSOLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-13-10-20(11-14(2)25-13)15(22)12-21-16(23)18(19-17(21)24)8-6-4-3-5-7-9-18/h13-14H,3-12H2,1-2H3,(H,19,24).
What are the key properties of 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione has a molecular weight of 351.45 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is sourced from PubChem (CID 3000204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).