tert-butyl N-(2-morpholin-4-yl-2-oxoethyl)-N-prop-2-enylcarbamate

C14H24N2O4 — CID 90025530

IUPACtert-butyl N-(2-morpholin-4-yl-2-oxoethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CC(=O)N1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O4/c1-5-6-16(13(18)20-14(2,3)4)11-12(17)15-7-9-19-10-8-15/h5H,1,6-11H2,2-4H3
InChIKeyGERWLZSVJBOOQS-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.27
Rot. Bonds4

About tert-butyl N-(2-morpholin-4-yl-2-oxoethyl)-N-prop-2-enylcarbamate

tert-butyl N-(2-morpholin-4-yl-2-oxoethyl)-N-prop-2-enylcarbamate (PubChem CID 90025530) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl N-(2-morpholin-4-yl-2-oxoethyl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(2-morpholin-4-yl-2-oxoethyl)-N-prop-2-enylcarbamate
PubChem CID90025530
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nametert-butyl N-(2-morpholin-4-yl-2-oxoethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CC(=O)N1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O4/c1-5-6-16(13(18)20-14(2,3)4)11-12(17)15-7-9-19-10-8-15/h5H,1,6-11H2,2-4H3
InChIKeyGERWLZSVJBOOQS-UHFFFAOYSA-N
XLogP1.27
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-morpholin-4-yl-2-oxoethyl)-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-(2-morpholin-4-yl-2-oxoethyl)-N-prop-2-enylcarbamate (CID 90025530) is tert-butyl N-(2-morpholin-4-yl-2-oxoethyl)-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-(2-morpholin-4-yl-2-oxoethyl)-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-(2-morpholin-4-yl-2-oxoethyl)-N-prop-2-enylcarbamate is C=CCN(CC(=O)N1CCOCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-morpholin-4-yl-2-oxoethyl)-N-prop-2-enylcarbamate?
The InChIKey is GERWLZSVJBOOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-5-6-16(13(18)20-14(2,3)4)11-12(17)15-7-9-19-10-8-15/h5H,1,6-11H2,2-4H3.
What are the key properties of tert-butyl N-(2-morpholin-4-yl-2-oxoethyl)-N-prop-2-enylcarbamate?
tert-butyl N-(2-morpholin-4-yl-2-oxoethyl)-N-prop-2-enylcarbamate has a molecular weight of 284.36 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-morpholin-4-yl-2-oxoethyl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 90025530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).