4-[2-(3-methylbutoxy)ethyl]morpholine-2,6-dione

C11H19NO4 — CID 63788368

IUPAC4-[2-(3-methylbutoxy)ethyl]morpholine-2,6-dione
SMILESCC(C)CCOCCN1CC(=O)OC(=O)C1
InChIInChI=1S/C11H19NO4/c1-9(2)3-5-15-6-4-12-7-10(13)16-11(14)8-12/h9H,3-8H2,1-2H3
InChIKeyLJDSHKVYTCRDEQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.43
Rot. Bonds6

About 4-[2-(3-methylbutoxy)ethyl]morpholine-2,6-dione

4-[2-(3-methylbutoxy)ethyl]morpholine-2,6-dione (PubChem CID 63788368) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-[2-(3-methylbutoxy)ethyl]morpholine-2,6-dione.

Molecular Properties

Compound Name4-[2-(3-methylbutoxy)ethyl]morpholine-2,6-dione
PubChem CID63788368
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name4-[2-(3-methylbutoxy)ethyl]morpholine-2,6-dione
SMILESCC(C)CCOCCN1CC(=O)OC(=O)C1
InChIInChI=1S/C11H19NO4/c1-9(2)3-5-15-6-4-12-7-10(13)16-11(14)8-12/h9H,3-8H2,1-2H3
InChIKeyLJDSHKVYTCRDEQ-UHFFFAOYSA-N
XLogP0.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
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 ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-(3-propoxypropyl)morpholine-2,6-dione
CID 82947424
4-(2-methoxyethyl)morpholine-2,6-dione
CID 63779036
3-ethyl-1-[2-(3-methylbutoxy)ethyl]piperidin-4-one
CID 114508865
ethene;1-methyl-4-[2-(3-methylbutoxy)ethyl]piperazine
CID 170952585
ethane;1-[2-(3-methylbutoxy)ethyl]piperazine
CID 176984616
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
1-[2-(3-methylbutoxy)ethyl]-4-(2-methylpropyl)piperidine
CID 176877129
1-[2-(3-methylbutoxy)ethyl]-3-propan-2-ylpyrrolidine-2,5-dione
CID 118459071
3-[2-(3-methylbutoxy)ethyl]pyrimidin-4-one
CID 116622737
1-[2-[2-(3-methylbutoxy)ethoxy]ethyl]-4-(2-methylpropyl)piperidine
CID 169289973
4-(bromomethyl)-1-[2-(3-methylbutoxy)ethyl]piperidine
CID 80676918

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylbutoxy)ethyl]morpholine-2,6-dione?
The IUPAC name of 4-[2-(3-methylbutoxy)ethyl]morpholine-2,6-dione (CID 63788368) is 4-[2-(3-methylbutoxy)ethyl]morpholine-2,6-dione.
What is the SMILES notation for 4-[2-(3-methylbutoxy)ethyl]morpholine-2,6-dione?
The canonical SMILES for 4-[2-(3-methylbutoxy)ethyl]morpholine-2,6-dione is CC(C)CCOCCN1CC(=O)OC(=O)C1.
What is the InChIKey of 4-[2-(3-methylbutoxy)ethyl]morpholine-2,6-dione?
The InChIKey is LJDSHKVYTCRDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-9(2)3-5-15-6-4-12-7-10(13)16-11(14)8-12/h9H,3-8H2,1-2H3.
What are the key properties of 4-[2-(3-methylbutoxy)ethyl]morpholine-2,6-dione?
4-[2-(3-methylbutoxy)ethyl]morpholine-2,6-dione has a molecular weight of 229.28 g/mol, XLogP of 0.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylbutoxy)ethyl]morpholine-2,6-dione is sourced from PubChem (CID 63788368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).