tert-butyl 2-(diethylcarbamoyl)morpholine-4-carboxylate

C14H26N2O4 — CID 23112247

IUPACtert-butyl 2-(diethylcarbamoyl)morpholine-4-carboxylate
SMILESCCN(CC)C(=O)C1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C14H26N2O4/c1-6-15(7-2)12(17)11-10-16(8-9-19-11)13(18)20-14(3,4)5/h11H,6-10H2,1-5H3
InChIKeyFGXAQXNQCGFTHO-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.49
Rot. Bonds3

About tert-butyl 2-(diethylcarbamoyl)morpholine-4-carboxylate

tert-butyl 2-(diethylcarbamoyl)morpholine-4-carboxylate (PubChem CID 23112247) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl 2-(diethylcarbamoyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(diethylcarbamoyl)morpholine-4-carboxylate
PubChem CID23112247
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl 2-(diethylcarbamoyl)morpholine-4-carboxylate
SMILESCCN(CC)C(=O)C1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C14H26N2O4/c1-6-15(7-2)12(17)11-10-16(8-9-19-11)13(18)20-14(3,4)5/h11H,6-10H2,1-5H3
InChIKeyFGXAQXNQCGFTHO-UHFFFAOYSA-N
XLogP1.49
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(diethylcarbamoyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl 2-(diethylcarbamoyl)morpholine-4-carboxylate (CID 23112247) is tert-butyl 2-(diethylcarbamoyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(diethylcarbamoyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(diethylcarbamoyl)morpholine-4-carboxylate is CCN(CC)C(=O)C1CN(C(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl 2-(diethylcarbamoyl)morpholine-4-carboxylate?
The InChIKey is FGXAQXNQCGFTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-6-15(7-2)12(17)11-10-16(8-9-19-11)13(18)20-14(3,4)5/h11H,6-10H2,1-5H3.
What are the key properties of tert-butyl 2-(diethylcarbamoyl)morpholine-4-carboxylate?
tert-butyl 2-(diethylcarbamoyl)morpholine-4-carboxylate has a molecular weight of 286.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(diethylcarbamoyl)morpholine-4-carboxylate is sourced from PubChem (CID 23112247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).