4-[2-(2,2-dimethylpropoxy)ethyl]morpholine-3,5-dione

C11H19NO4 — CID 21027158

IUPAC4-[2-(2,2-dimethylpropoxy)ethyl]morpholine-3,5-dione
SMILESCC(C)(C)COCCN1C(=O)COCC1=O
InChIInChI=1S/C11H19NO4/c1-11(2,3)8-15-5-4-12-9(13)6-16-7-10(12)14/h4-8H2,1-3H3
InChIKeyBJWWEUGDWUXLGG-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.43
Rot. Bonds4

About 4-[2-(2,2-dimethylpropoxy)ethyl]morpholine-3,5-dione

4-[2-(2,2-dimethylpropoxy)ethyl]morpholine-3,5-dione (PubChem CID 21027158) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-[2-(2,2-dimethylpropoxy)ethyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[2-(2,2-dimethylpropoxy)ethyl]morpholine-3,5-dione
PubChem CID21027158
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name4-[2-(2,2-dimethylpropoxy)ethyl]morpholine-3,5-dione
SMILESCC(C)(C)COCCN1C(=O)COCC1=O
InChIInChI=1S/C11H19NO4/c1-11(2,3)8-15-5-4-12-9(13)6-16-7-10(12)14/h4-8H2,1-3H3
InChIKeyBJWWEUGDWUXLGG-UHFFFAOYSA-N
XLogP0.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-1-(morpholin-4-yl)propan-1-one
CID 532033
4-Methylmorpholin-3-one
CID 11007867
Piperazine, 1,4-bis(ethoxyacetyl)-
CID 204974
Methoxyacetic acid, morpholide
CID 532078
Piperazine, 1,4-bis(propoxyacetyl)-
CID 204975
Tert-butyl 3-oxomorpholine-4-carboxylate
CID 15000282
N-ethylmorpholinone
CID 12766108
4-Butylmorpholine-3,5-dione
CID 13156567
3,5-Morpholinedione,4-ethyl-
CID 15506865
1-(2,6-Dimethylmorpholin-4-yl)-2-ethoxyethan-1-one
CID 5017298
2-Ethoxy-1-morpholin-4-ylethanone
CID 4623390
2-tert-Butoxy-1-morpholin-4-yl-ethanone
CID 12636377

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2-dimethylpropoxy)ethyl]morpholine-3,5-dione?
The IUPAC name of 4-[2-(2,2-dimethylpropoxy)ethyl]morpholine-3,5-dione (CID 21027158) is 4-[2-(2,2-dimethylpropoxy)ethyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[2-(2,2-dimethylpropoxy)ethyl]morpholine-3,5-dione?
The canonical SMILES for 4-[2-(2,2-dimethylpropoxy)ethyl]morpholine-3,5-dione is CC(C)(C)COCCN1C(=O)COCC1=O.
What is the InChIKey of 4-[2-(2,2-dimethylpropoxy)ethyl]morpholine-3,5-dione?
The InChIKey is BJWWEUGDWUXLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)8-15-5-4-12-9(13)6-16-7-10(12)14/h4-8H2,1-3H3.
What are the key properties of 4-[2-(2,2-dimethylpropoxy)ethyl]morpholine-3,5-dione?
4-[2-(2,2-dimethylpropoxy)ethyl]morpholine-3,5-dione has a molecular weight of 229.28 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,2-dimethylpropoxy)ethyl]morpholine-3,5-dione is sourced from PubChem (CID 21027158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).