1-O-ethyl 3-O-(2-morpholin-4-ylethyl) 2-acetamido-2-ethylpropanedioate

C15H26N2O6 — CID 22069221

IUPAC1-O-ethyl 3-O-(2-morpholin-4-ylethyl) 2-acetamido-2-ethylpropanedioate
SMILESCCOC(=O)C(CC)(NC(C)=O)C(=O)OCCN1CCOCC1
InChIInChI=1S/C15H26N2O6/c1-4-15(16-12(3)18,13(19)22-5-2)14(20)23-11-8-17-6-9-21-10-7-17/h4-11H2,1-3H3,(H,16,18)
InChIKeyHCONFFOMPDHTLZ-UHFFFAOYSA-N
MW330.38 g/mol
LogP-0.29
Rot. Bonds8

About 1-O-ethyl 3-O-(2-morpholin-4-ylethyl) 2-acetamido-2-ethylpropanedioate

1-O-ethyl 3-O-(2-morpholin-4-ylethyl) 2-acetamido-2-ethylpropanedioate (PubChem CID 22069221) has the molecular formula C15H26N2O6 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-O-ethyl 3-O-(2-morpholin-4-ylethyl) 2-acetamido-2-ethylpropanedioate.

Molecular Properties

Compound Name1-O-ethyl 3-O-(2-morpholin-4-ylethyl) 2-acetamido-2-ethylpropanedioate
PubChem CID22069221
Molecular FormulaC15H26N2O6
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Name1-O-ethyl 3-O-(2-morpholin-4-ylethyl) 2-acetamido-2-ethylpropanedioate
SMILESCCOC(=O)C(CC)(NC(C)=O)C(=O)OCCN1CCOCC1
InChIInChI=1S/C15H26N2O6/c1-4-15(16-12(3)18,13(19)22-5-2)14(20)23-11-8-17-6-9-21-10-7-17/h4-11H2,1-3H3,(H,16,18)
InChIKeyHCONFFOMPDHTLZ-UHFFFAOYSA-N
XLogP-0.29
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Diethyl acetamido(ethyl)propanedioate
CID 13945395
Methyl 2-[4-[1-(tert-butylamino)-1-oxopropan-2-yl]morpholin-2-yl]acetate
CID 72104124
1,3-Diethyl 2-acetamido-2-(piperidin-1-ylmethyl)propanedioate
CID 246329
Diethyl 2-acetamido-2-(4-morpholin-4-ylbutyl)propanedioate
CID 23206144
Diethyl 2-acetamido-2-(3-morpholin-4-ylpropyl)propanedioate
CID 23206147
Acetamido(4-acetamido-2-butynyl)-malonic acid diethyl ester
CID 53712490
Diethyl 2-(4-morpholin-4-ylbutanoylamino)propanedioate
CID 54199500
Diethyl 2-acetamido-2-[1-[di(propan-2-yl)amino]ethyl]propanedioate
CID 57209903
Methyl 3-ethylmorpholine-3-carboxylate
CID 67122020
Diethyl 2-acetamido-2-(2-morpholin-4-ylethyl)propanedioate
CID 67707429
Diethyl 2-ethyl-2-morpholin-4-ylpropanedioate
CID 70381132
Ethyl 2-acetamido-3-oxobutanoate;4-methylmorpholine
CID 158473923

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 3-O-(2-morpholin-4-ylethyl) 2-acetamido-2-ethylpropanedioate?
The IUPAC name of 1-O-ethyl 3-O-(2-morpholin-4-ylethyl) 2-acetamido-2-ethylpropanedioate (CID 22069221) is 1-O-ethyl 3-O-(2-morpholin-4-ylethyl) 2-acetamido-2-ethylpropanedioate.
What is the SMILES notation for 1-O-ethyl 3-O-(2-morpholin-4-ylethyl) 2-acetamido-2-ethylpropanedioate?
The canonical SMILES for 1-O-ethyl 3-O-(2-morpholin-4-ylethyl) 2-acetamido-2-ethylpropanedioate is CCOC(=O)C(CC)(NC(C)=O)C(=O)OCCN1CCOCC1.
What is the InChIKey of 1-O-ethyl 3-O-(2-morpholin-4-ylethyl) 2-acetamido-2-ethylpropanedioate?
The InChIKey is HCONFFOMPDHTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O6/c1-4-15(16-12(3)18,13(19)22-5-2)14(20)23-11-8-17-6-9-21-10-7-17/h4-11H2,1-3H3,(H,16,18).
What are the key properties of 1-O-ethyl 3-O-(2-morpholin-4-ylethyl) 2-acetamido-2-ethylpropanedioate?
1-O-ethyl 3-O-(2-morpholin-4-ylethyl) 2-acetamido-2-ethylpropanedioate has a molecular weight of 330.38 g/mol, XLogP of -0.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 3-O-(2-morpholin-4-ylethyl) 2-acetamido-2-ethylpropanedioate is sourced from PubChem (CID 22069221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).